data_1wj0_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 1wj0 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.831 0.348 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.0 mt -100.89 156.74 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.074 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 8.0 p -109.22 159.54 16.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 17.3 t -65.06 139.53 58.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -75.98 -29.97 58.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 24.2 t -59.24 141.97 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.134 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.93 156.33 37.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.825 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 61.72 25.71 15.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 12.8 t -137.67 104.12 5.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.866 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -96.64 30.79 8.29 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.449 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.31 132.27 49.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 111.142 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -91.22 120.52 32.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 18.7 mt -87.98 54.3 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.795 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 87.8 p -107.3 -31.82 8.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.92 -33.1 68.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.963 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 10.3 m -61.6 170.08 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -111.17 -37.92 5.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.054 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.9 -174.84 0.69 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 2.8 t80 68.55 -67.51 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.956 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -64.92 -30.33 71.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -27.1 22.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.068 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -45.25 83.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -95.93 15.23 21.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.489 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt 50.2 86.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.908 0.385 . . . . 0.0 111.192 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.2 p -178.63 136.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.046 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 20.8 p -72.24 -171.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.721 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.62 -27.95 31.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.228 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 37.0 mm -62.29 -70.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.223 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -59.85 -25.0 64.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.18 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 14.4 t -56.21 -44.89 79.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.059 0.457 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -118.79 36.84 4.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.648 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -100.12 -179.91 4.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.057 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.72 -48.16 4.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 10.4 p -120.29 139.29 52.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.236 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -142.59 148.43 37.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.62 109.21 20.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 17.7 t -129.3 100.06 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.161 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 93.77 -45.38 2.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.467 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 165.39 -30.17 0.21 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.416 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 3.9 mt -99.1 135.25 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.361 . . . . 0.0 111.026 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.14 146.32 55.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -154.97 177.12 11.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.94 128.6 30.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.79 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.426 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 61.4 t80 -75.85 128.18 34.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -87.13 155.45 20.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -98.56 -46.29 5.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -65.74 -55.81 15.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 59.0 m -74.01 -30.64 62.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.08 69.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.06 149.2 1.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 2.2 m-85 -73.6 147.33 43.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -161.09 137.83 8.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 15.7 m -48.81 146.93 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.152 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 -179.811 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.874 0.368 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 27.7 mt -112.34 123.25 67.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.46 146.92 29.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 35.3 t -57.24 136.38 56.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.978 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -58.19 -35.74 72.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.949 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.414 HG21 ' CG ' ' A' ' 152' ' ' HIS . 23.0 t -59.08 124.66 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -64.69 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.052 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -70.04 65.83 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 22.4 t -159.78 -66.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 59.39 33.41 75.95 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.48 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.21 150.95 31.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 0.0 111.171 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -94.2 137.2 33.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.804 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 60.7 mt -112.17 37.76 2.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 42.7 t -95.26 -25.18 16.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.008 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.39 38.31 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.979 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 8.8 m -127.42 170.43 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -98.12 -79.73 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.998 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -138.65 -179.11 5.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 69.41 -65.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -87.42 52.89 2.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -152.19 -61.79 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.727 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -34.29 76.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.621 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 36.8 m170 -78.96 -13.98 59.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.23 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.85 81.39 0.21 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.932 0.396 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.4 p -178.91 133.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 29.4 p -71.57 -172.59 0.8 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -84.89 7.97 19.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.779 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 40.5 mm -104.41 -68.45 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.713 0.292 . . . . 0.0 111.067 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . 0.414 ' CG ' HG21 ' A' ' 129' ' ' VAL . 48.8 m80 -62.78 -24.65 67.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.079 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 24.8 t -56.81 -30.0 63.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.99 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -139.21 35.94 2.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -95.78 -173.78 2.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.063 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.38 -35.28 13.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 1.1 p -140.13 160.69 39.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.165 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -161.69 125.58 3.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.96 100.57 11.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 34.3 t -128.91 132.8 67.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.078 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 58.15 37.23 85.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.521 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 63.4 24.51 67.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.539 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 29.8 mt -148.54 140.69 18.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.838 0.351 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 6.5 mmt -80.62 123.71 28.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -140.95 179.16 6.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.796 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -125.58 158.51 34.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.412 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 53.9 t80 -113.11 141.6 46.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' CYS . . . . . 0.402 ' O ' ' CE2' ' A' ' 167' ' ' PHE . 0.5 OUTLIER -113.72 174.9 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -104.37 -31.42 9.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -72.81 -54.6 8.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 28.0 p -86.98 -30.38 21.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 11.8 p 59.09 36.99 24.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -125.74 136.7 53.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 3.2 m-85 -71.38 79.1 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.944 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -83.87 143.37 29.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 6.0 m -51.79 179.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.416 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.053 -179.819 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.769 0.318 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.0 mt -125.18 155.73 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 8.8 t -114.72 160.23 19.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.008 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.52 126.63 29.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -59.65 -30.65 68.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.438 HG12 ' CE1' ' A' ' 152' ' ' HIS . 32.2 t -59.34 148.03 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -90.97 158.95 16.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.866 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 17.3 m120 60.68 25.41 15.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 42.0 t -118.9 -68.57 0.91 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.856 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 66.41 42.92 93.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.483 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -87.2 127.12 35.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -72.25 149.95 44.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 44.1 mt -128.6 48.01 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.5 m -103.43 -30.98 10.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -89.04 -22.4 22.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 29.9 m -53.26 168.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.373 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -75.44 -78.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -167.63 -42.1 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.088 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -55.93 -33.53 64.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.974 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -99.75 34.45 2.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.2 tpp85 -124.58 -63.18 1.2 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -32.57 70.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -75.34 -13.27 60.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.316 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 12.1 mttt 61.49 64.41 1.06 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.883 0.373 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.7 p -164.94 133.82 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.0 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 20.0 p -67.56 -167.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.791 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -88.23 -27.96 21.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.237 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 41.7 mm -61.11 -68.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.263 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . 0.438 ' CE1' HG12 ' A' ' 129' ' ' VAL . 52.1 m80 -61.59 -18.22 58.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.469 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 5.3 p -55.52 -31.1 61.8 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.822 0.344 . . . . 0.0 111.094 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -138.1 39.34 2.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -100.93 -176.09 3.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.071 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 6.1 p -112.47 -44.21 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.9 p -112.34 131.81 55.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.109 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -151.17 131.39 13.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.97 121.32 34.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 10.7 t -139.44 91.4 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 94.63 -46.61 2.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 173.93 -34.62 0.11 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.412 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 23.0 mt -99.73 135.86 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.343 . . . . 0.0 111.089 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.18 164.01 7.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -177.56 176.76 1.23 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.809 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.46 144.41 28.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -71.37 157.73 37.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 73.9 m -127.57 135.26 50.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -72.82 -30.46 64.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.006 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -81.8 -69.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 1.3 t -59.06 -28.02 66.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.012 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 4.2 m 61.49 31.57 18.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.45 160.91 40.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.811 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -80.91 117.71 21.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.787 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -109.33 144.63 37.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 21.2 t -57.8 146.36 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 6.0 tp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.819 179.925 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.833 0.349 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 27.8 mt -127.39 138.87 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 75.9 m -93.16 155.34 17.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.003 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 8.6 t -60.79 129.38 41.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -67.82 -28.66 67.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.418 HG21 ' CG ' ' A' ' 152' ' ' HIS . 21.9 t -58.49 141.95 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.175 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -75.47 153.46 37.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 62.93 27.37 15.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 12.2 t -140.14 83.39 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.914 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -83.42 57.55 5.06 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.444 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -96.8 144.23 26.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 111.174 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.01 127.72 46.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 35.9 mt -91.49 50.47 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.7 m -106.67 -34.19 7.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.841 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -77.36 -28.55 52.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 29.5 m -57.31 173.13 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.204 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -74.07 0.16 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.71 -41.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -59.26 -30.89 68.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -98.82 37.62 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -130.4 -64.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -31.42 69.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -69.96 -15.51 63.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.353 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? 65.66 48.67 1.9 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.97 0.414 . . . . 0.0 110.909 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.3 p -156.11 140.54 8.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.978 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.2 p -82.56 -168.84 2.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.836 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -79.2 -33.64 43.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.207 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 49.3 mm -61.36 -43.67 97.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.385 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . 0.418 ' CG ' HG21 ' A' ' 129' ' ' VAL . 47.7 m80 -93.95 20.8 7.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.301 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 20.4 t -92.42 -31.45 15.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.596 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.49 30.16 0.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.803 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -76.42 168.56 19.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 4.6 p -73.09 -30.38 63.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.064 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -155.98 161.67 40.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.184 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -150.53 157.03 42.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.46 114.69 24.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.005 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 11.2 t -142.76 132.97 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.194 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 56.15 31.81 59.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.631 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 67.26 28.02 73.61 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.545 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . 0.499 HD12 HG22 ' A' ' 163' ' ' ILE . 28.2 mt -146.18 137.9 19.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 111.109 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.23 143.85 50.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -167.79 179.28 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -141.01 162.41 35.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -99.8 138.53 36.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.73 148.2 30.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -87.99 -30.73 19.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.97 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -84.62 -32.36 23.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.971 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 13.6 m -86.34 -29.74 22.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 66.5 m 62.15 29.68 17.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -154.21 157.53 38.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.816 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -71.22 136.46 48.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.05 135.53 50.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.756 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 4.8 m -49.17 174.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.442 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.01 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.835 0.35 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.8 mt -121.62 94.09 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.005 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.22 157.19 11.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.969 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 26.4 t -58.24 133.32 55.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -63.88 -29.88 71.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.954 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 31.8 t -61.54 145.65 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.075 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.32 154.18 35.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 22.0 m120 59.89 30.73 20.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 4.3 t -138.55 103.57 4.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.793 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -96.17 38.21 3.18 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.537 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.82 114.85 7.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 0.0 111.088 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.78 124.25 26.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 39.0 mt -107.72 45.11 1.02 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.87 -40.73 10.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -107.22 41.36 1.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 5.1 m -100.28 -179.96 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -82.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 t0 178.39 -43.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -56.77 -29.49 62.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.069 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.4 ' CD2' ' OG ' ' A' ' 153' ' ' SER . 34.4 m170 -90.95 -28.74 17.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -69.53 -34.34 74.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.003 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.29 -30.47 48.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.996 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . 0.413 ' CE1' ' HB3' ' A' ' 172' ' ' SER . 20.0 m-70 -82.94 -10.79 58.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.37 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 14.9 mttt 63.17 47.67 4.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.891 0.376 . . . . 0.0 110.761 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.3 p -150.63 159.0 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.015 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 20.5 p -90.61 -169.77 2.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.951 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -80.57 -30.89 36.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.02 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 41.7 mm -60.58 -69.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -59.7 -22.73 62.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' SER . . . . . 0.4 ' OG ' ' CD2' ' A' ' 143' ' ' HIS . 0.3 OUTLIER -54.75 -37.91 66.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.923 0.392 . . . . 0.0 111.074 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.64 -21.42 11.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.161 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -53.28 163.51 0.57 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.801 0.334 . . . . 0.0 111.256 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.45 -55.17 3.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 1.4 p -94.68 132.26 39.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -146.98 128.6 15.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.51 88.34 7.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 27.2 t -115.14 114.87 47.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.063 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 89.89 -50.05 3.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.602 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 171.86 -33.34 0.14 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 22.0 mt -110.99 153.6 12.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.731 0.3 . . . . 0.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.38 144.39 49.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.807 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -151.9 176.6 11.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.04 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -120.0 168.04 11.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.77 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -125.37 83.79 2.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.7 133.67 54.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -70.11 -42.97 71.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -65.83 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 91.4 m -63.34 -36.24 83.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' SER . . . . . 0.413 ' HB3' ' CE1' ' A' ' 146' ' ' HIS . 8.1 m 59.92 70.03 0.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -176.54 133.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -63.4 109.28 1.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -117.84 136.63 53.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.022 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 14.7 m -53.86 178.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.386 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 10.7 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.03 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.796 0.332 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.1 mm -101.33 152.48 5.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -121.13 147.74 45.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 16.3 t -57.12 140.54 49.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -94.64 40.94 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.413 HG13 ' CE1' ' A' ' 152' ' ' HIS . 31.1 t -128.63 130.59 68.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.64 150.75 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 35.1 m120 62.43 25.61 15.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 8.8 t -144.95 97.4 3.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.949 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -96.5 29.16 10.74 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.484 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.5 127.22 30.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 111.21 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -89.58 122.76 33.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 76.2 mt -84.9 57.23 4.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.3 m -107.63 -24.46 11.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.97 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -96.69 32.0 2.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.029 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 18.9 m -118.79 170.06 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.117 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.47 -39.52 3.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -174.44 -177.77 1.28 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.016 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . 0.419 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 0.9 OUTLIER 58.54 25.39 13.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.037 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.419 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 21.4 m80 -161.8 -45.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 110.752 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -62.07 -32.81 73.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.25 -41.31 11.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -71.62 -22.28 61.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 1.5 mttp 66.24 75.66 0.33 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.5 p -179.4 134.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.989 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.5 p -73.14 -172.34 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.778 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -77.54 -31.24 53.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.238 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 43.6 mm -63.09 -42.64 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.419 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . 0.421 ' CD2' ' HB1' ' A' ' 158' ' ' ALA . 46.8 m80 -96.4 33.72 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.992 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 41.1 t -110.18 -32.7 6.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.754 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -131.67 32.17 4.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -106.35 175.13 5.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.46 -34.94 6.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.34 129.27 53.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.421 ' HB1' ' CD2' ' A' ' 152' ' ' HIS . . . -162.31 123.17 2.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.37 106.64 18.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 24.2 t -116.33 97.49 5.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.234 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.42 -46.22 2.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.537 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 172.03 -31.62 0.12 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.603 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 4.8 mt -94.15 139.29 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.944 0.402 . . . . 0.0 111.042 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 7.6 mmt -69.94 117.99 12.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.95 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.12 179.79 7.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -136.97 151.24 48.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -71.16 122.85 20.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 2.7 t -88.96 121.85 31.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -67.57 -38.44 84.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -65.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 30.9 t -58.57 -23.41 58.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 16.7 m 65.07 32.5 10.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.809 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 41.1 mtt85 -152.5 172.99 15.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -88.71 120.55 30.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -125.02 146.55 49.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.82 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 15.8 m -48.42 171.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.452 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 3.7 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.941 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.865 0.364 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 31.9 mt -108.68 155.21 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 21.1 m -118.89 149.48 41.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 24.3 t -59.83 131.32 50.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -63.55 -31.7 72.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.418 ' CG1' ' CE1' ' A' ' 152' ' ' HIS . 21.0 t -58.22 122.92 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.316 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.55 157.54 32.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 60.58 27.9 17.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 52.3 t -134.26 110.74 9.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -92.19 46.16 2.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.367 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -86.18 99.71 11.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.883 0.373 . . . . 0.0 111.113 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -71.21 132.78 45.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.707 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 67.3 mt -95.49 41.03 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.6 t -109.1 -28.05 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.997 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.58 30.98 2.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 5.6 m -122.32 175.95 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.136 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -106.08 -78.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.29 -179.11 6.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . 0.402 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 0.9 OUTLIER 60.2 30.87 20.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.402 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 13.5 m170 -162.97 -45.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -76.41 -44.42 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -42.53 79.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 64.7 m80 -79.74 -5.68 55.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.499 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt 62.62 75.57 0.4 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.868 0.366 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 9.5 p 179.73 139.35 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 15.2 p -81.05 -177.11 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.819 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.98 -33.5 63.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.336 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 48.7 mm -61.35 -42.52 93.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.495 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . 0.418 ' CE1' ' CG1' ' A' ' 129' ' ' VAL . 41.6 m80 -95.11 23.46 5.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.171 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 22.7 t -96.5 -30.63 13.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.906 0.384 . . . . 0.0 110.759 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.98 36.29 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -95.87 -179.72 4.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.194 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 3.0 m -89.03 -57.23 2.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.22 176.46 5.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -175.33 130.86 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.42 107.58 19.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.37 107.74 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.069 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.54 -50.8 2.97 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.567 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 175.87 -35.04 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.542 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 30.1 mt -107.71 148.69 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.923 0.392 . . . . 0.0 111.1 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -72.56 149.66 43.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -151.77 177.42 10.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 35.6 ttt-85 -129.78 132.55 46.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -83.99 113.13 20.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.08 140.12 29.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -78.77 -31.81 46.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -71.51 -58.32 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 1.5 t -71.52 -29.21 64.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.967 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 13.5 m 62.5 37.33 13.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -147.36 152.21 37.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -72.38 108.94 5.75 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -112.42 140.86 46.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 9.6 m -55.17 168.63 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 5.5 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.822 0.344 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.6 mt -132.84 122.64 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 62.4 m -76.47 145.14 39.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 35.1 t -55.06 124.95 18.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -57.55 -29.51 64.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.426 HG12 ' CE1' ' A' ' 152' ' ' HIS . 20.8 t -62.2 144.66 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.78 156.22 27.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 61.03 28.24 18.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 18.6 t -140.02 80.57 1.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.84 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -78.84 61.01 4.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.474 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -102.41 121.92 43.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.798 0.333 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -82.2 127.99 33.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 44.6 mt -94.55 45.07 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.96 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 31.8 t -97.01 -28.36 14.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -98.27 30.68 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.961 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 7.3 m -110.08 179.14 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.09 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 5.7 mtmm -83.46 -77.3 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -168.64 -42.09 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -57.04 -30.61 64.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -105.64 31.35 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.18 -59.68 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -32.84 70.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.806 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -74.55 -11.7 60.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.257 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt 61.36 41.71 12.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.946 0.403 . . . . 0.0 110.952 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.9 p -144.14 139.92 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.981 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 20.9 p -72.71 -168.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -82.42 -33.44 28.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.073 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 2.5 mp -59.73 -72.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.105 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . 0.426 ' CE1' HG12 ' A' ' 129' ' ' VAL . 48.6 m80 -56.65 -24.72 50.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.1 -29.92 61.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -131.37 36.12 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -100.48 179.87 4.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 7.7 p -109.45 -30.38 7.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 51.5 p -134.34 136.26 43.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.035 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -151.77 150.95 30.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -104.12 122.71 45.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 20.4 t -141.1 100.97 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 93.87 -42.77 2.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.501 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 165.43 -29.59 0.21 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 22.6 mt -107.48 154.22 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.931 0.395 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 4.3 mmt -77.6 149.67 34.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -161.89 172.71 15.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.9 161.19 25.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.421 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 43.9 t80 -106.57 153.38 22.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.82 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 5.5 t -120.22 160.14 23.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -98.3 -32.87 11.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -84.58 -44.89 13.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -75.26 -32.06 60.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 12.5 p 58.75 40.13 23.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -154.0 141.32 19.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 1.8 m-85 -68.37 128.2 35.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -131.27 146.37 52.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 11.8 m -56.84 147.29 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.261 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.839 0.352 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 32.6 mt -100.09 152.25 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.17 154.26 21.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 17.5 t -59.44 136.5 57.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -73.93 -28.77 61.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 22.2 t -56.84 144.56 8.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.188 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.3 154.22 27.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 60.77 29.49 19.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 29.9 t -135.92 112.47 10.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -95.8 28.14 13.63 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.86 127.95 33.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.34 . . . . 0.0 111.152 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -96.8 133.63 41.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 38.7 mt -95.5 42.99 1.09 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.82 -30.6 11.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.923 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -98.09 29.19 3.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.031 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 16.8 m -113.1 164.96 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.0 mtmt -75.0 -69.26 0.48 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.024 0.44 . . . . 0.0 111.076 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -177.53 -38.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -52.17 -28.61 18.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -95.62 -22.35 17.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -96.82 33.3 1.9 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.967 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.92 -44.27 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.042 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -107.19 22.35 16.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.187 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.9 mttt 52.53 79.52 0.11 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.8 p -168.89 144.06 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.06 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.0 p -82.97 -176.48 6.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.969 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -75.47 -28.95 59.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.292 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 38.1 mm -61.76 -68.99 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.199 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -60.92 -19.04 60.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.37 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 47.8 t -55.16 -29.75 58.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 111.094 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -143.93 31.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -98.45 145.24 26.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -58.72 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.1 p -91.99 155.0 18.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -169.93 107.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.079 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.73 86.47 5.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 27.5 t -114.63 104.97 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 94.51 -40.5 2.71 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.585 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 162.14 -28.3 0.27 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 15.7 mt -111.64 150.38 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 111.009 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 10.0 mmt -76.33 138.0 40.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -145.39 176.43 9.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -129.35 131.01 46.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -83.94 101.88 12.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 4.5 t -84.42 123.68 30.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -60.42 -35.07 74.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -60.01 -65.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.798 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 36.1 m -65.8 -27.04 67.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.11 32.61 12.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -148.91 150.8 33.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.772 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -67.83 105.32 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -106.46 137.51 44.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 6.1 m -53.88 178.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.259 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.954 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.834 0.35 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 32.7 mt -123.8 137.65 56.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.039 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 22.2 p -92.85 154.66 18.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 12.3 t -59.41 145.35 43.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -97.08 29.65 3.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.438 ' CG1' ' CE1' ' A' ' 152' ' ' HIS . 57.4 t -119.31 122.35 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.041 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -59.27 155.45 14.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.5 m120 62.32 29.04 17.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 23.1 t -131.38 -68.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 58.73 53.05 49.36 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.519 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -98.88 138.29 36.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.765 0.317 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -89.67 130.27 35.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.001 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 8.0 mt -102.4 34.16 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.93 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 79.3 p -94.26 -31.2 14.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -88.65 -20.19 25.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 21.9 m -52.88 173.6 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.892 0.377 . . . . 0.0 111.332 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -74.88 -67.51 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.978 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -174.81 -40.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . 0.414 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 14.8 t80 -81.58 59.25 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.414 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 8.8 m170 -166.15 -46.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.784 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 7.0 ttm-85 -65.74 -52.12 53.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.832 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -30.8 68.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -82.76 -6.73 59.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.318 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.42 34.2 18.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.825 0.345 . . . . 0.0 111.073 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.5 p -146.23 137.66 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.021 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 21.7 p -73.05 -173.11 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.6 -29.77 56.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 39.3 mm -62.43 -69.27 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.195 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . 0.438 ' CE1' ' CG1' ' A' ' 129' ' ' VAL . 50.4 m80 -60.22 -20.25 57.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.309 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -30.17 62.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -132.25 37.55 3.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -107.54 173.89 6.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 76.6 p -109.81 -32.18 7.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.52 126.27 51.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.008 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.418 ' HB1' ' CD2' ' A' ' 152' ' ' HIS . . . -148.37 118.96 7.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.064 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.63 107.65 10.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 24.7 t -135.19 126.06 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 58.47 33.39 71.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.461 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 69.93 27.51 73.01 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.558 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . 0.413 HG21 HD11 ' A' ' 163' ' ' ILE . 27.7 mt -147.52 140.01 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.768 0.318 . . . . 0.0 111.113 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.54 136.55 40.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -166.85 172.67 10.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -138.74 159.98 40.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.947 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -75.66 164.5 26.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 2.0 t -136.39 113.57 10.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -63.6 -34.62 78.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -73.92 -67.56 0.59 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 58.9 m -61.85 -26.1 67.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 20.5 t 64.76 32.96 10.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.825 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.58 157.06 37.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.81 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.9 138.64 52.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -136.49 140.42 43.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 15.7 m -54.69 158.59 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.364 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.825 0.345 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 30.4 mt -113.73 155.02 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.075 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 27.4 p -112.89 155.53 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 10.2 t -69.08 126.36 29.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -58.45 -27.64 64.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 30.4 t -57.54 118.16 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.054 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -54.08 -65.4 0.58 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -71.09 65.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 15.1 t -158.63 -66.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.917 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 58.96 28.28 63.37 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.319 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -72.87 168.24 19.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.937 0.399 . . . . 0.0 111.129 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.03 129.48 56.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.797 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 27.3 mt -96.56 40.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 91.9 p -96.64 -31.73 12.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -76.91 -31.67 56.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 19.6 m -64.56 179.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.279 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm -120.53 -78.34 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.94 -175.4 3.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 2.0 t80 69.09 -66.64 0.24 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -73.68 -29.36 62.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.44 37.42 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.938 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -117.05 -40.04 3.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.788 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -119.94 27.44 8.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 57.63 93.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.084 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.0 p 179.29 146.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.997 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 16.9 p -93.47 178.04 5.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.744 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -69.64 -29.12 66.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.558 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 31.7 mm -62.44 -58.6 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.349 . . . . 0.0 111.435 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 52.4 m80 -78.55 -2.23 37.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.576 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 19.2 p -63.35 -36.46 83.78 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.955 0.407 . . . . 0.0 110.946 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.64 31.35 4.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -88.3 148.73 24.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.068 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 3.1 p -73.31 -31.0 63.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.149 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.2 158.15 44.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -165.83 129.82 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.23 99.96 12.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.823 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 21.1 t -121.73 108.97 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.065 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 92.95 -47.97 2.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 169.77 -32.63 0.17 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.462 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 4.5 mt -106.67 139.81 26.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 3.7 mmt -60.85 157.24 15.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -165.94 179.96 5.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.26 142.39 45.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.421 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 66.1 t80 -91.93 106.24 18.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 10.8 t -72.95 154.48 40.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -93.35 -50.53 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.62 -32.16 71.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.99 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 33.7 m -95.74 -31.01 13.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 2.6 m 61.62 41.47 12.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -147.78 148.22 30.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 3.7 m-85 -70.83 101.28 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -89.48 130.76 35.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 11.4 p -50.87 140.31 5.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.344 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 13.1 tp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.005 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.849 0.357 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.7 mt -125.33 136.43 60.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 36.1 m -94.33 150.17 20.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 8.7 t -59.14 127.73 33.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -57.44 -32.85 67.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.953 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.421 HG21 ' CG ' ' A' ' 152' ' ' HIS . 43.2 t -55.18 115.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -46.67 -67.86 0.24 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.407 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.1 65.56 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 8.9 t -167.56 111.99 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.059 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -100.84 44.69 1.53 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.252 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -88.08 161.28 17.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 111.191 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -124.61 130.8 53.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.79 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 32.6 mt -97.55 38.33 1.29 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.7 t -98.08 -30.95 12.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.44 -30.82 29.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 20.5 m -59.15 176.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.133 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.68 -78.75 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -137.86 -178.52 5.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 16.0 t80 69.02 -66.51 0.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -87.06 55.36 3.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -156.53 -64.6 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.813 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.86 -31.6 71.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -81.62 -12.3 58.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.268 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.1 mttt 67.46 79.78 0.22 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.859 0.362 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.1 p 179.07 149.72 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 17.6 p -96.9 169.86 9.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.806 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.8 -24.87 66.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.741 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 23.0 mm -68.71 -65.89 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.694 0.283 . . . . 0.0 111.466 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . 0.421 ' CG ' HG21 ' A' ' 129' ' ' VAL . 51.3 m80 -67.71 -12.25 60.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.638 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 53.5 p -57.79 -28.74 64.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.807 0.337 . . . . 0.0 110.973 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -147.4 34.52 0.87 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -86.37 170.92 11.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.97 -48.02 55.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 75.1 p -141.43 163.7 32.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -157.71 132.44 8.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.11 113.19 24.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.973 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 41.3 t -129.25 97.07 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.018 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 90.75 -48.47 3.05 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.529 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 175.63 -35.32 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 9.2 mt -101.21 131.73 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.738 0.304 . . . . 0.0 111.046 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 3.3 mtt -62.25 158.69 16.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -168.03 169.31 11.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 -117.35 -176.95 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -122.08 129.8 52.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.33 151.69 21.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.88 -42.73 7.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -84.04 -34.39 24.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.958 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.79 -27.45 23.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.028 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 23.6 m 64.17 170.93 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 62.09 159.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -74.3 135.0 42.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -131.44 134.82 46.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.8 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 21.3 t -56.88 145.94 6.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.816 0.341 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.4 mt -132.44 132.36 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 21.5 p -85.51 153.45 22.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 35.2 t -63.63 130.05 42.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.779 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -57.05 -29.98 63.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.976 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.453 ' CG1' ' CE1' ' A' ' 152' ' ' HIS . 26.1 t -59.55 122.13 8.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.082 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -57.96 -59.34 5.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.92 64.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 5.0 t -153.49 -67.03 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 63.44 30.03 76.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -84.21 -177.44 6.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.778 0.323 . . . . 0.0 111.133 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -130.32 142.65 50.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 27.2 mt -118.06 44.87 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.9 m -95.03 -30.79 13.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -79.07 -31.17 44.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 31.6 m -59.66 -179.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -128.28 -78.16 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.53 175.32 9.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . 0.413 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 1.2 t80 59.06 30.26 20.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 8.6 m80 -165.91 -48.1 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -50.81 48.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -48.72 80.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -71.56 -13.79 61.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.314 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 10.9 mttm 61.99 78.87 0.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.893 0.378 . . . . 0.0 110.925 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.41 HG22 ' CZ ' ' A' ' 174' ' ' PHE . 10.8 p -178.9 141.24 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.008 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 18.2 p -74.46 -166.07 0.4 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.53 -31.66 19.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.944 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 2.6 mp -60.05 -72.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.111 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . 0.453 ' CE1' ' CG1' ' A' ' 129' ' ' VAL . 52.8 m80 -57.41 -23.16 47.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.16 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.22 -25.88 49.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.866 0.365 . . . . 0.0 111.003 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -147.72 30.9 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.757 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -84.28 -173.08 4.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.253 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.41 -54.13 3.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.2 p -136.08 121.03 18.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.181 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -101.97 -169.72 1.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.27 93.55 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 25.4 t -130.94 123.83 54.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.023 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 71.53 28.38 69.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.458 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 69.22 26.4 74.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.52 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . 0.415 HG23 HD13 ' A' ' 163' ' ' ILE . 24.9 mt -148.8 136.57 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.836 0.351 . . . . 0.0 111.004 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.4 158.67 33.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -170.38 -177.81 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -148.22 136.92 21.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 168' ' ' CYS . 17.6 t80 -75.64 148.34 38.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' CYS . . . . . 0.443 ' N ' ' CD1' ' A' ' 167' ' ' PHE . 3.8 t -132.55 144.65 50.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -85.96 -36.32 19.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -74.86 -44.24 50.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . 0.421 ' HB3' ' CD2' ' A' ' 175' ' ' HIS . 10.9 m -85.52 -26.87 25.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 63.74 159.18 0.09 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.767 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 61.33 160.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.41 ' CZ ' HG22 ' A' ' 148' ' ' VAL . 5.4 m-85 -61.95 149.76 39.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . 0.421 ' CD2' ' HB3' ' A' ' 171' ' ' CYS . 17.8 m-70 -148.14 124.74 11.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 11.4 p -54.89 152.48 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.271 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 38.5 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.767 0.317 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.7 mt -132.75 117.29 29.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 22.0 m -72.56 158.74 35.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.009 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 24.7 t -57.0 125.7 23.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.978 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -58.59 -26.17 63.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 46.9 t -55.99 136.27 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 0.0 110.979 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.21 -77.47 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.195 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -70.19 65.97 0.28 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 4.3 t -172.49 100.47 0.15 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -96.84 30.41 8.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.392 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.11 146.75 46.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 111.179 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -109.24 115.0 29.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 16.1 mt -87.98 54.96 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.9 p -97.18 -29.95 13.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.35 39.03 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 6.1 m -106.3 173.34 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.75 -78.31 0.15 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.018 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -168.04 -42.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . 0.425 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 7.8 t80 -76.11 61.07 1.52 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.425 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 2.5 m170 -174.37 -41.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.715 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -68.46 -51.44 43.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.85 -31.25 64.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -86.08 -13.13 48.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.243 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.81 55.55 2.61 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.892 0.377 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.6 p -156.06 150.78 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 22.6 p -88.1 -170.66 3.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.001 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.22 -34.09 49.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.062 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 2.6 mp -59.65 -72.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.042 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -57.18 -26.61 60.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.053 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.23 -30.23 66.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.926 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.73 35.99 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -95.53 -171.54 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.035 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 82.1 p -106.5 -35.92 6.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.1 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.87 147.68 48.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.094 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -157.21 140.78 15.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.93 106.97 19.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.23 124.78 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 63.77 38.19 95.8 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.515 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 64.68 26.61 71.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . 0.446 HG22 HD12 ' A' ' 163' ' ' ILE . 31.4 mt -147.38 159.09 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 111.136 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 1.1 mmt -94.94 140.54 29.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.721 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -161.81 -178.01 6.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -140.35 139.02 35.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.415 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 42.3 t80 -79.79 127.01 31.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 4.6 p -114.4 132.1 56.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -64.13 -30.87 71.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.65 -75.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.81 -26.93 63.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.07 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.74 31.27 14.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -138.62 143.94 39.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 1.7 m-85 -68.9 96.89 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -103.33 144.49 31.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 5.5 m -51.74 176.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.278 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 120.934 0.397 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.8 mt -108.6 153.73 10.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.044 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.3 m -114.53 153.52 29.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 44.4 t -67.97 125.46 26.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -59.05 -29.65 67.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.457 ' CG1' ' CE1' ' A' ' 152' ' ' HIS . 30.6 t -58.69 120.7 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.75 155.73 18.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 60.72 29.34 18.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 17.7 t -137.11 103.41 5.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -92.29 46.91 2.61 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -85.27 108.84 17.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.329 . . . . 0.0 111.122 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -75.96 127.73 33.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 46.0 mt -96.39 41.78 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 29.6 t -99.28 -34.66 10.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -77.68 -30.74 52.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 30.4 m -58.96 173.15 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -111.59 -77.19 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.47 179.0 6.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.773 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 9.8 t80 69.33 -66.0 0.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -89.21 51.27 2.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -150.54 -56.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -71.11 -34.54 71.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.698 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -80.57 -14.1 58.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.2 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 7.2 mttm 64.6 80.49 0.23 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.775 0.321 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.8 p -179.57 124.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.7 p -58.41 -166.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.802 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -88.75 -29.21 19.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.153 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 39.5 mm -61.58 -70.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.361 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . 0.457 ' CE1' ' CG1' ' A' ' 129' ' ' VAL . 51.8 m80 -60.68 -24.32 65.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.301 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 6.0 t -55.89 -29.58 60.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.029 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.66 32.49 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -100.4 167.29 10.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 45.0 p -94.04 -27.89 16.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.03 150.11 50.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.16 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -166.57 143.45 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.21 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.07 111.71 24.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 17.2 t -131.63 102.18 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 93.11 -48.02 2.44 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 169.64 -32.6 0.17 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.412 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 3.6 mt -100.83 135.56 36.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.8 0.333 . . . . 0.0 111.07 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.34 164.09 4.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.6 178.66 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.91 116.53 8.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.42 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 53.0 t80 -72.68 126.22 29.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.26 -178.36 3.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -101.73 -47.54 4.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -82.0 -48.5 11.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.81 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 91.7 m -59.96 -36.93 78.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 2.4 m 60.85 165.95 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 62.18 150.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 4.3 m-85 -73.46 105.45 4.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -108.19 132.91 53.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.012 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 16.5 m -52.66 -178.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.243 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.049 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.788 0.328 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 18.9 mm -101.81 156.35 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.0 p -125.04 151.07 46.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 10.1 t -69.37 124.4 23.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -59.05 -25.96 64.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 39.2 t -57.36 124.43 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -58.36 -67.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.072 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -70.37 65.65 0.29 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.982 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 9.8 t -155.84 -66.87 0.12 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 59.56 28.26 64.87 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.485 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -73.47 173.62 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -119.74 139.98 51.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 55.7 mt -115.51 48.32 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 27.7 t -97.49 -28.92 13.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.0 34.78 1.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 4.1 m -112.16 179.38 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.196 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -95.09 -69.49 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -174.18 -38.69 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.006 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -50.49 -27.54 6.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.258 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -107.9 -29.79 8.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -53.35 58.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -71.49 -44.08 65.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.99 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -59.11 -21.72 59.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 65.71 71.28 0.43 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.997 0.427 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 8.7 p 179.17 155.26 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 20.8 p -89.53 179.32 6.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.841 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -71.11 -25.9 62.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.433 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 32.4 mm -66.6 -69.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.468 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -62.71 -28.54 70.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.202 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 13.2 t -58.52 -31.52 67.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -125.67 32.97 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -101.53 170.9 7.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.62 -30.84 18.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.073 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 3.5 p -141.01 167.13 22.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.095 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -161.84 177.83 9.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.02 99.68 4.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 12.7 t -131.13 125.58 57.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 68.14 34.44 81.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.519 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 65.17 28.1 73.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.518 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 33.7 mt -146.39 158.75 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.15 154.86 19.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.756 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.28 -179.09 3.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -149.71 131.5 15.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.53 112.54 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.45 -9.81 59.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.334 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 65.35 -75.85 0.05 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -54.82 40.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 24.1 m -65.76 -25.34 67.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.023 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.64 165.54 0.18 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.27 144.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -67.21 124.13 22.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -110.11 127.48 54.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 11.2 p -58.69 143.55 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.175 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.951 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.885 0.374 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 28.6 mt -135.86 116.79 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.182 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 35.1 m -63.95 157.91 23.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 24.8 t -58.05 146.9 31.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -96.6 34.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.446 HG13 ' CE1' ' A' ' 152' ' ' HIS . 46.9 t -117.74 134.68 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -58.13 139.68 54.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 63.44 30.52 15.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.031 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 9.0 t -146.0 82.51 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.934 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -92.94 46.08 2.48 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -75.71 118.11 18.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.34 . . . . 0.0 111.167 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -71.46 127.13 31.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.78 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 84.5 mt -92.69 47.9 1.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.54 -22.32 17.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.017 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -95.46 35.06 1.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.066 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 7.3 m -127.86 170.79 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.084 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -115.36 -38.49 3.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.54 -178.08 0.72 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . 0.408 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 3.0 t80 58.81 27.02 15.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.011 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 17.4 m170 -161.86 -49.24 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -75.41 -37.86 60.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -69.39 -32.72 71.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -96.55 -11.15 25.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 30.8 mttt 65.68 78.37 0.27 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.94 0.4 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.6 p -174.8 135.65 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 22.7 p -73.91 -169.51 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.87 -28.88 32.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.247 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 37.4 mm -63.79 -69.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.226 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . 0.446 ' CE1' HG13 ' A' ' 129' ' ' VAL . 50.6 m80 -60.03 -27.82 67.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.128 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.1 t -58.63 -30.29 67.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -131.07 36.74 3.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.813 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -99.27 -174.89 2.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.74 -34.45 7.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.2 p -139.81 105.65 5.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -108.89 133.01 53.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.85 123.98 31.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 19.1 t -152.35 111.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 74.27 32.12 58.51 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 77.42 2.71 80.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.955 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 5.1 mt -128.73 158.53 41.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.805 0.336 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 7.1 mtt -92.4 168.39 11.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.17 178.51 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -136.11 125.46 24.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -62.67 116.89 5.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.3 131.72 38.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.811 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -83.07 -30.38 28.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -83.1 -54.09 5.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -77.62 -20.41 53.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.195 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 15.0 m 65.87 163.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 110.922 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 49.2 mtm180 62.0 166.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -69.23 155.64 40.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -144.28 118.52 9.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.009 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 11.9 p -54.46 154.96 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.263 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 30.5 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.932 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.839 0.352 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.2 mt -103.44 155.75 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 10.3 m -108.17 156.68 19.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 21.5 t -63.73 125.63 24.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -57.51 -25.4 59.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.421 HG13 ' CE1' ' A' ' 152' ' ' HIS . 42.3 t -58.76 135.57 23.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -76.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -69.41 67.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.898 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 4.7 t -171.13 103.98 0.22 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -97.58 27.79 17.17 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.411 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.35 141.34 57.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.774 0.321 . . . . 0.0 111.182 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.6 114.7 29.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.5 mt -85.14 57.19 4.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 8.4 t -110.43 -33.3 6.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.33 -31.54 64.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.838 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 31.0 m -63.88 176.72 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -101.46 -76.95 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -148.06 -169.8 3.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 9.1 t80 69.08 -66.89 0.23 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -66.91 -33.01 74.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.4 ttm-85 -71.41 -49.32 43.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -59.77 -36.21 76.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -75.77 -17.1 60.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.184 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 36.7 mttp 66.03 44.03 2.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.898 0.38 . . . . 0.0 110.799 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.0 p -147.78 141.79 19.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.016 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 21.5 p -79.24 -176.31 5.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.1 -28.25 61.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.199 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 35.3 mm -64.12 -70.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.318 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . 0.421 ' CE1' HG13 ' A' ' 129' ' ' VAL . 50.8 m80 -62.22 -17.99 59.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.31 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.27 -55.84 21.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.965 0.412 . . . . 0.0 111.132 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.84 37.58 3.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.043 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -96.55 175.44 6.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.226 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 6.4 m -107.86 -29.15 9.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 1.8 p -125.35 126.28 44.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -141.75 125.32 16.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.28 103.09 13.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 15.2 t -138.22 136.14 44.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 58.96 29.09 64.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.523 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 68.76 22.13 75.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.559 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 19.2 mt -150.77 133.36 6.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.787 0.327 . . . . 0.0 111.012 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 1.3 mtt -65.8 145.71 55.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -162.51 178.87 8.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 6.9 mtp-105 -125.94 165.35 18.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.807 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -119.6 111.64 18.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 9.0 t -99.8 129.17 45.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -63.4 -33.48 75.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -72.79 -43.07 63.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 86.2 m -68.73 -29.88 68.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.63 34.79 17.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.72 158.25 3.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -75.09 134.36 41.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -135.15 139.76 44.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 5.4 m -50.76 178.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.454 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 8.3 mt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.96 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.848 0.356 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 30.6 mt -137.13 154.49 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.8 m -106.09 162.09 13.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 14.8 t -60.01 144.23 49.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -82.1 -24.88 34.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 39.8 t -54.33 133.68 17.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.17 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -54.85 -75.12 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.201 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -69.79 65.96 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 8.6 t -169.16 127.62 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.0 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -123.07 42.39 1.61 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.356 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -83.17 172.31 12.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 111.174 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -119.01 166.0 13.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.2 mt -138.26 32.29 2.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 26.3 p -87.48 -31.48 19.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -74.42 -30.86 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 30.7 m -70.09 176.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.164 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -115.17 -77.83 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -132.68 171.97 13.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . 0.4 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 1.2 t80 60.21 33.05 21.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.408 ' CE1' ' HG2' ' A' ' 150' ' ' GLU . 8.5 m170 -164.17 -44.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -82.9 -53.14 6.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.26 -31.82 71.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -85.36 -13.33 49.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.298 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.92 80.72 0.22 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.861 0.362 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 9.2 p -179.84 130.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 30.0 p -67.82 -172.13 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.408 ' HG2' ' CE1' ' A' ' 143' ' ' HIS . 1.0 OUTLIER -84.93 8.32 18.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.857 -179.612 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.404 HD12 HG23 ' A' ' 151' ' ' ILE . 38.1 mm -104.11 -67.08 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 0.0 111.108 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -62.3 -21.24 65.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.38 -27.83 64.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.014 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -139.14 31.54 2.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.813 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -90.82 -173.9 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -100.65 -41.9 6.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.219 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 67.5 p -131.42 133.25 45.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -134.26 116.64 15.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.93 102.76 4.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.002 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 4.4 t -134.45 115.9 20.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 69.06 36.04 79.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.473 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 69.95 25.59 75.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.561 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 22.0 mt -150.82 158.83 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 0.0 111.04 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 12.3 mtt -99.35 147.87 24.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . 0.415 ' HG3' ' CD1' ' A' ' 174' ' ' PHE . 0.1 OUTLIER -149.68 -178.79 6.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.975 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 35.5 ttt-85 -138.62 124.67 20.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -66.93 112.58 4.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.9 151.63 23.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.98 -47.02 21.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -69.17 -41.78 76.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 15.5 m -72.48 -30.25 64.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 69.1 m 61.9 30.12 18.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -177.19 161.06 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . 0.415 ' CD1' ' HG3' ' A' ' 165' ' ' GLN . 54.6 m-85 -60.11 156.77 14.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . 0.401 ' CD2' ' O ' ' A' ' 174' ' ' PHE . 30.3 m-70 -164.03 41.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 22.0 t 61.0 155.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.792 179.901 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.941 0.4 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.474 HG23 HD12 ' A' ' 125' ' ' ILE . 30.4 mt -142.84 99.27 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.092 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.07 158.99 6.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 8.8 t -58.66 145.86 38.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -96.73 24.88 5.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.058 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 24.6 t -109.23 148.26 13.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.968 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -72.58 145.6 47.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.038 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 62.39 30.88 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 16.8 t -144.78 105.82 4.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.886 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -100.06 34.15 5.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.388 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.18 141.55 53.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.843 0.354 . . . . 0.0 111.063 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -104.37 119.66 39.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 33.7 mt -99.53 58.28 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 35.4 t -106.48 -45.41 4.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -71.14 -27.9 63.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 25.7 m -56.39 179.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.19 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -96.12 -75.8 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.985 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -157.95 -43.62 0.06 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -47.7 -42.77 25.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.297 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -106.09 40.23 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.87 -48.86 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -63.11 -31.9 73.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -83.84 -3.19 57.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.386 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.401 ' CG ' ' CG2' ' A' ' 125' ' ' ILE . 0.4 OUTLIER 61.2 28.09 17.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.718 0.294 . . . . 0.0 111.126 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.3 p -128.38 142.6 43.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.2 p -83.7 -171.48 3.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -75.45 -33.45 60.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.043 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 50.2 mm -61.94 -42.84 96.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.277 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -95.46 26.53 3.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.188 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 34.1 t -104.71 -31.56 9.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.727 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.0 29.37 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -91.96 159.25 15.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.072 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 31.3 p -97.26 24.15 6.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.296 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -179.06 135.49 0.13 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -150.97 135.32 16.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.0 100.77 10.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.995 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 39.0 t -127.64 132.33 69.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 62.63 28.39 71.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.506 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 72.12 31.09 64.39 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.535 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 25.4 mt -147.87 158.94 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 0.0 111.111 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 6.3 mmt -93.46 133.89 36.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.21 -178.75 6.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.057 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -146.31 136.09 23.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.801 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -84.6 143.32 29.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.62 163.71 24.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -97.58 -53.67 3.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -63.01 -40.92 99.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 56.1 m -84.25 -31.15 25.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 11.8 t 61.1 167.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 60.73 158.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.76 131.31 44.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -122.84 131.52 53.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.828 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 14.1 m -49.59 164.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.534 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.831 0.348 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.0 mt -100.89 156.74 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.074 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 8.0 p -109.22 159.54 16.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 17.3 t -65.06 139.53 58.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -75.98 -29.97 58.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 24.2 t -59.24 141.97 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.134 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.93 156.33 37.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.825 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 61.72 25.71 15.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 12.8 t -137.67 104.12 5.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.866 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -96.64 30.79 8.29 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.449 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.31 132.27 49.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 111.142 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -91.22 120.52 32.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 18.7 mt -87.98 54.3 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.795 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 87.8 p -107.3 -31.82 8.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.92 -33.1 68.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.963 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 10.3 m -61.6 170.08 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -111.17 -37.92 5.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.054 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.9 -174.84 0.69 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 2.8 t80 68.55 -67.51 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.956 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -64.92 -30.33 71.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -27.1 22.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.068 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -45.25 83.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -95.93 15.23 21.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.489 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt 50.2 86.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.908 0.385 . . . . 0.0 111.192 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.2 p -178.63 136.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.046 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 20.8 p -72.24 -171.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.721 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.62 -27.95 31.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.228 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 37.0 mm -62.29 -70.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.223 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -59.85 -25.0 64.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.18 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 14.4 t -56.21 -44.89 79.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.059 0.457 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -118.79 36.84 4.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.648 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -100.12 -179.91 4.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.057 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.72 -48.16 4.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 10.4 p -120.29 139.29 52.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.236 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -142.59 148.43 37.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.62 109.21 20.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 17.7 t -129.3 100.06 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.161 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 93.77 -45.38 2.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.467 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 165.39 -30.17 0.21 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.416 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 3.9 mt -99.1 135.25 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.361 . . . . 0.0 111.026 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.14 146.32 55.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -154.97 177.12 11.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.94 128.6 30.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.79 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.426 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 61.4 t80 -75.85 128.18 34.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -87.13 155.45 20.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -98.56 -46.29 5.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -65.74 -55.81 15.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 59.0 m -74.01 -30.64 62.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.08 69.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.06 149.2 1.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 2.2 m-85 -73.6 147.33 43.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -161.09 137.83 8.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 15.7 m -48.81 146.93 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.152 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 3.4 pp -95.98 38.61 1.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -81.66 -30.25 32.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.651 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.43 -20.85 12.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.005 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -51.73 159.28 0.82 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.107 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.966 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.874 0.368 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 27.7 mt -112.34 123.25 67.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.46 146.92 29.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 35.3 t -57.24 136.38 56.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.978 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -58.19 -35.74 72.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.949 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.414 HG21 ' CG ' ' A' ' 152' ' ' HIS . 23.0 t -59.08 124.66 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -64.69 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.052 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -70.04 65.83 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 22.4 t -159.78 -66.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 59.39 33.41 75.95 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.48 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.21 150.95 31.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 0.0 111.171 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -94.2 137.2 33.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.804 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 60.7 mt -112.17 37.76 2.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 42.7 t -95.26 -25.18 16.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.008 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.39 38.31 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.979 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 8.8 m -127.42 170.43 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -98.12 -79.73 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.998 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -138.65 -179.11 5.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 69.41 -65.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -87.42 52.89 2.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -152.19 -61.79 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.727 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -34.29 76.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.621 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 36.8 m170 -78.96 -13.98 59.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.23 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.85 81.39 0.21 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.932 0.396 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.4 p -178.91 133.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 29.4 p -71.57 -172.59 0.8 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -84.89 7.97 19.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.779 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 40.5 mm -104.41 -68.45 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.713 0.292 . . . . 0.0 111.067 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.414 ' CG ' HG21 ' A' ' 129' ' ' VAL . 48.8 m80 -62.78 -24.65 67.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.079 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 24.8 t -56.81 -30.0 63.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.99 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -139.21 35.94 2.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -95.78 -173.78 2.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.063 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.38 -35.28 13.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 1.1 p -140.13 160.69 39.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.165 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -161.69 125.58 3.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.96 100.57 11.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 34.3 t -128.91 132.8 67.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.078 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 58.15 37.23 85.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.521 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 63.4 24.51 67.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.539 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 29.8 mt -148.54 140.69 18.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.838 0.351 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 6.5 mmt -80.62 123.71 28.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -140.95 179.16 6.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.796 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -125.58 158.51 34.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.412 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 53.9 t80 -113.11 141.6 46.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' CYS . . . . . 0.402 ' O ' ' CE2' ' A' ' 167' ' ' PHE . 0.5 OUTLIER -113.72 174.9 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -104.37 -31.42 9.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -72.81 -54.6 8.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 28.0 p -86.98 -30.38 21.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 11.8 p 59.09 36.99 24.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -125.74 136.7 53.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 3.2 m-85 -71.38 79.1 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.944 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -83.87 143.37 29.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 6.0 m -51.79 179.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.416 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 2.4 mt -96.77 30.6 2.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.053 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -96.64 -30.92 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.81 -41.33 14.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -70.52 104.73 2.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.876 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.769 0.318 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.0 mt -125.18 155.73 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 8.8 t -114.72 160.23 19.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.008 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.52 126.63 29.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -59.65 -30.65 68.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.438 HG12 ' CE1' ' A' ' 152' ' ' HIS . 32.2 t -59.34 148.03 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -90.97 158.95 16.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.866 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 17.3 m120 60.68 25.41 15.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 42.0 t -118.9 -68.57 0.91 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.856 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 66.41 42.92 93.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.483 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -87.2 127.12 35.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -72.25 149.95 44.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 44.1 mt -128.6 48.01 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.5 m -103.43 -30.98 10.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -89.04 -22.4 22.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 29.9 m -53.26 168.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.373 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -75.44 -78.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -167.63 -42.1 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.088 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -55.93 -33.53 64.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.974 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -99.75 34.45 2.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.2 tpp85 -124.58 -63.18 1.2 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -32.57 70.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -75.34 -13.27 60.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.316 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 12.1 mttt 61.49 64.41 1.06 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.883 0.373 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.7 p -164.94 133.82 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.0 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 20.0 p -67.56 -167.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.791 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -88.23 -27.96 21.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.237 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 41.7 mm -61.11 -68.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.263 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.438 ' CE1' HG12 ' A' ' 129' ' ' VAL . 52.1 m80 -61.59 -18.22 58.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.469 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 5.3 p -55.52 -31.1 61.8 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.822 0.344 . . . . 0.0 111.094 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -138.1 39.34 2.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -100.93 -176.09 3.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.071 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 6.1 p -112.47 -44.21 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.9 p -112.34 131.81 55.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.109 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -151.17 131.39 13.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.97 121.32 34.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 10.7 t -139.44 91.4 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 94.63 -46.61 2.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 173.93 -34.62 0.11 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.412 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 23.0 mt -99.73 135.86 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.343 . . . . 0.0 111.089 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.18 164.01 7.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -177.56 176.76 1.23 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.809 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . 0.409 ' HD2' ' CD1' ' A' ' 180' ' ' PHE . 0.1 OUTLIER -147.46 144.41 28.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -71.37 157.73 37.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 73.9 m -127.57 135.26 50.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -72.82 -30.46 64.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.006 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -81.8 -69.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 1.3 t -59.06 -28.02 66.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.012 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 4.2 m 61.49 31.57 18.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.45 160.91 40.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.811 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -80.91 117.71 21.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.787 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -109.33 144.63 37.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 21.2 t -57.8 146.36 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 6.0 tp -75.12 74.25 2.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.819 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -112.11 -36.91 5.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.956 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.31 42.64 2.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.409 ' CD1' ' HD2' ' A' ' 166' ' ' ARG . 92.2 m-85 -125.21 35.04 4.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.951 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.891 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.833 0.349 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 27.8 mt -127.39 138.87 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 75.9 m -93.16 155.34 17.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.003 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 8.6 t -60.79 129.38 41.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -67.82 -28.66 67.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.418 HG21 ' CG ' ' A' ' 152' ' ' HIS . 21.9 t -58.49 141.95 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.175 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -75.47 153.46 37.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 62.93 27.37 15.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 12.2 t -140.14 83.39 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.914 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -83.42 57.55 5.06 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.444 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -96.8 144.23 26.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 111.174 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.01 127.72 46.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 35.9 mt -91.49 50.47 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.7 m -106.67 -34.19 7.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.841 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -77.36 -28.55 52.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 29.5 m -57.31 173.13 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.204 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -74.07 0.16 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.71 -41.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -59.26 -30.89 68.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -98.82 37.62 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -130.4 -64.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -31.42 69.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -69.96 -15.51 63.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.353 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? 65.66 48.67 1.9 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.97 0.414 . . . . 0.0 110.909 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.3 p -156.11 140.54 8.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.978 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.2 p -82.56 -168.84 2.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.836 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -79.2 -33.64 43.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.207 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 49.3 mm -61.36 -43.67 97.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.385 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.418 ' CG ' HG21 ' A' ' 129' ' ' VAL . 47.7 m80 -93.95 20.8 7.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.301 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 20.4 t -92.42 -31.45 15.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.596 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.49 30.16 0.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.803 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -76.42 168.56 19.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 4.6 p -73.09 -30.38 63.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.064 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -155.98 161.67 40.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.184 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -150.53 157.03 42.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.46 114.69 24.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.005 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 11.2 t -142.76 132.97 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.194 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 56.15 31.81 59.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.631 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 67.26 28.02 73.61 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.545 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . 0.499 HD12 HG22 ' A' ' 163' ' ' ILE . 28.2 mt -146.18 137.9 19.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 111.109 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.23 143.85 50.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -167.79 179.28 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -141.01 162.41 35.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -99.8 138.53 36.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.73 148.2 30.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -87.99 -30.73 19.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.97 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -84.62 -32.36 23.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.971 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 13.6 m -86.34 -29.74 22.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 66.5 m 62.15 29.68 17.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -154.21 157.53 38.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.816 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -71.22 136.46 48.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.05 135.53 50.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.756 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 4.8 m -49.17 174.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.442 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 3.0 tp -95.35 40.56 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.01 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -109.78 -31.39 7.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.12 -42.86 11.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.805 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -62.88 152.99 34.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.803 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.835 0.35 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.8 mt -121.62 94.09 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.005 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.22 157.19 11.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.969 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 26.4 t -58.24 133.32 55.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -63.88 -29.88 71.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.954 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 31.8 t -61.54 145.65 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.075 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.32 154.18 35.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 22.0 m120 59.89 30.73 20.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 4.3 t -138.55 103.57 4.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.793 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -96.17 38.21 3.18 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.537 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.82 114.85 7.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 0.0 111.088 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.78 124.25 26.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 39.0 mt -107.72 45.11 1.02 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.87 -40.73 10.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -107.22 41.36 1.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 5.1 m -100.28 -179.96 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -82.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 t0 178.39 -43.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -56.77 -29.49 62.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.069 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.4 ' CD2' ' OG ' ' A' ' 153' ' ' SER . 34.4 m170 -90.95 -28.74 17.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -69.53 -34.34 74.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.003 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.29 -30.47 48.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.996 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . 0.413 ' CE1' ' HB3' ' A' ' 172' ' ' SER . 20.0 m-70 -82.94 -10.79 58.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.37 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 14.9 mttt 63.17 47.67 4.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.891 0.376 . . . . 0.0 110.761 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.3 p -150.63 159.0 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.015 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 20.5 p -90.61 -169.77 2.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.951 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -80.57 -30.89 36.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.02 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 41.7 mm -60.58 -69.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -59.7 -22.73 62.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' SER . . . . . 0.4 ' OG ' ' CD2' ' A' ' 143' ' ' HIS . 0.3 OUTLIER -54.75 -37.91 66.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.923 0.392 . . . . 0.0 111.074 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.64 -21.42 11.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.161 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -53.28 163.51 0.57 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.801 0.334 . . . . 0.0 111.256 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.45 -55.17 3.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 1.4 p -94.68 132.26 39.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -146.98 128.6 15.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.51 88.34 7.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 27.2 t -115.14 114.87 47.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.063 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 89.89 -50.05 3.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.602 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 171.86 -33.34 0.14 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 22.0 mt -110.99 153.6 12.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.731 0.3 . . . . 0.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.38 144.39 49.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.807 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -151.9 176.6 11.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.04 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . 0.418 ' HB2' ' CE2' ' A' ' 180' ' ' PHE . 8.4 mtt180 -120.0 168.04 11.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.77 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -125.37 83.79 2.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.7 133.67 54.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -70.11 -42.97 71.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -65.83 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 91.4 m -63.34 -36.24 83.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' SER . . . . . 0.413 ' HB3' ' CE1' ' A' ' 146' ' ' HIS . 8.1 m 59.92 70.03 0.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -176.54 133.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -63.4 109.28 1.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -117.84 136.63 53.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.022 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 14.7 m -53.86 178.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.386 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 10.7 mt -97.42 28.48 3.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -99.83 31.57 3.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.751 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -164.86 -43.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.832 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.418 ' CE2' ' HB2' ' A' ' 166' ' ' ARG . 32.7 m-85 -59.21 105.2 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.976 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.796 0.332 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.1 mm -101.33 152.48 5.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -121.13 147.74 45.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 16.3 t -57.12 140.54 49.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -94.64 40.94 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.413 HG13 ' CE1' ' A' ' 152' ' ' HIS . 31.1 t -128.63 130.59 68.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.64 150.75 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 35.1 m120 62.43 25.61 15.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 8.8 t -144.95 97.4 3.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.949 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -96.5 29.16 10.74 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.484 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.5 127.22 30.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 111.21 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -89.58 122.76 33.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 76.2 mt -84.9 57.23 4.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.3 m -107.63 -24.46 11.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.97 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -96.69 32.0 2.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.029 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 18.9 m -118.79 170.06 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.117 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.47 -39.52 3.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -174.44 -177.77 1.28 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.016 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . 0.419 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 0.9 OUTLIER 58.54 25.39 13.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.037 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.419 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 21.4 m80 -161.8 -45.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 110.752 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -62.07 -32.81 73.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.25 -41.31 11.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -71.62 -22.28 61.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 1.5 mttp 66.24 75.66 0.33 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.5 p -179.4 134.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.989 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.5 p -73.14 -172.34 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.778 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -77.54 -31.24 53.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.238 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 43.6 mm -63.09 -42.64 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.419 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.421 ' CD2' ' HB1' ' A' ' 158' ' ' ALA . 46.8 m80 -96.4 33.72 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.992 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 41.1 t -110.18 -32.7 6.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.754 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -131.67 32.17 4.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -106.35 175.13 5.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.46 -34.94 6.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.34 129.27 53.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.421 ' HB1' ' CD2' ' A' ' 152' ' ' HIS . . . -162.31 123.17 2.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.37 106.64 18.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 24.2 t -116.33 97.49 5.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.234 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.42 -46.22 2.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.537 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 172.03 -31.62 0.12 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.603 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 4.8 mt -94.15 139.29 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.944 0.402 . . . . 0.0 111.042 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 7.6 mmt -69.94 117.99 12.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.95 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.12 179.79 7.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -136.97 151.24 48.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -71.16 122.85 20.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 2.7 t -88.96 121.85 31.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -67.57 -38.44 84.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -65.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 30.9 t -58.57 -23.41 58.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 16.7 m 65.07 32.5 10.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.809 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 41.1 mtt85 -152.5 172.99 15.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -88.71 120.55 30.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -125.02 146.55 49.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.82 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 15.8 m -48.42 171.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.452 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 3.7 mt -89.53 51.25 2.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -121.56 130.69 53.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.834 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 73.36 6.47 5.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.526 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -106.79 103.83 13.36 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.81 0.338 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.897 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.865 0.364 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 31.9 mt -108.68 155.21 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 21.1 m -118.89 149.48 41.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 24.3 t -59.83 131.32 50.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -63.55 -31.7 72.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.418 ' CG1' ' CE1' ' A' ' 152' ' ' HIS . 21.0 t -58.22 122.92 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.316 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.55 157.54 32.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 60.58 27.9 17.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 52.3 t -134.26 110.74 9.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -92.19 46.16 2.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.367 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -86.18 99.71 11.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.883 0.373 . . . . 0.0 111.113 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -71.21 132.78 45.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.707 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 67.3 mt -95.49 41.03 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.6 t -109.1 -28.05 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.997 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.58 30.98 2.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 5.6 m -122.32 175.95 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.136 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -106.08 -78.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.29 -179.11 6.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . 0.402 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 0.9 OUTLIER 60.2 30.87 20.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.402 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 13.5 m170 -162.97 -45.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -76.41 -44.42 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -42.53 79.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 64.7 m80 -79.74 -5.68 55.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.499 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt 62.62 75.57 0.4 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.868 0.366 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 9.5 p 179.73 139.35 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 15.2 p -81.05 -177.11 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.819 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.98 -33.5 63.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.336 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 48.7 mm -61.35 -42.52 93.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.495 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.418 ' CE1' ' CG1' ' A' ' 129' ' ' VAL . 41.6 m80 -95.11 23.46 5.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.171 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 22.7 t -96.5 -30.63 13.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.906 0.384 . . . . 0.0 110.759 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.98 36.29 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -95.87 -179.72 4.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.194 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 3.0 m -89.03 -57.23 2.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.22 176.46 5.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -175.33 130.86 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.42 107.58 19.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.37 107.74 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.069 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.54 -50.8 2.97 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.567 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 175.87 -35.04 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.542 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 30.1 mt -107.71 148.69 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.923 0.392 . . . . 0.0 111.1 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -72.56 149.66 43.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -151.77 177.42 10.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 35.6 ttt-85 -129.78 132.55 46.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -83.99 113.13 20.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.08 140.12 29.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -78.77 -31.81 46.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -71.51 -58.32 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 1.5 t -71.52 -29.21 64.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.967 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 13.5 m 62.5 37.33 13.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -147.36 152.21 37.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -72.38 108.94 5.75 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -112.42 140.86 46.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 9.6 m -55.17 168.63 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 5.5 mt -91.44 51.06 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -105.24 -40.98 5.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -90.83 -31.46 16.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -70.33 119.83 15.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.967 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.822 0.344 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.6 mt -132.84 122.64 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 62.4 m -76.47 145.14 39.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 35.1 t -55.06 124.95 18.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -57.55 -29.51 64.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.426 HG12 ' CE1' ' A' ' 152' ' ' HIS . 20.8 t -62.2 144.66 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.78 156.22 27.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 61.03 28.24 18.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 18.6 t -140.02 80.57 1.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.84 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -78.84 61.01 4.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.474 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -102.41 121.92 43.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.798 0.333 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -82.2 127.99 33.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 44.6 mt -94.55 45.07 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.96 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 31.8 t -97.01 -28.36 14.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -98.27 30.68 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.961 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 7.3 m -110.08 179.14 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.09 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 5.7 mtmm -83.46 -77.3 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -168.64 -42.09 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -57.04 -30.61 64.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -105.64 31.35 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.18 -59.68 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -32.84 70.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.806 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -74.55 -11.7 60.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.257 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt 61.36 41.71 12.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.946 0.403 . . . . 0.0 110.952 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.9 p -144.14 139.92 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.981 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 20.9 p -72.71 -168.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -82.42 -33.44 28.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.073 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 2.5 mp -59.73 -72.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.105 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.426 ' CE1' HG12 ' A' ' 129' ' ' VAL . 48.6 m80 -56.65 -24.72 50.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.1 -29.92 61.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -131.37 36.12 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -100.48 179.87 4.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 7.7 p -109.45 -30.38 7.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 51.5 p -134.34 136.26 43.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.035 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -151.77 150.95 30.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -104.12 122.71 45.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 20.4 t -141.1 100.97 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 93.87 -42.77 2.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.501 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 165.43 -29.59 0.21 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 22.6 mt -107.48 154.22 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.931 0.395 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 4.3 mmt -77.6 149.67 34.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -161.89 172.71 15.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.9 161.19 25.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.421 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 43.9 t80 -106.57 153.38 22.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.82 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 5.5 t -120.22 160.14 23.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -98.3 -32.87 11.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -84.58 -44.89 13.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -75.26 -32.06 60.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 12.5 p 58.75 40.13 23.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -154.0 141.32 19.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 1.8 m-85 -68.37 128.2 35.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -131.27 146.37 52.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 11.8 m -56.84 147.29 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.261 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 3.0 mt -56.97 -24.32 52.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -55.06 -29.18 56.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.39 30.66 4.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.947 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -133.73 147.36 51.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.839 0.352 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 32.6 mt -100.09 152.25 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.17 154.26 21.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 17.5 t -59.44 136.5 57.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -73.93 -28.77 61.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 22.2 t -56.84 144.56 8.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.188 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.3 154.22 27.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 60.77 29.49 19.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 29.9 t -135.92 112.47 10.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -95.8 28.14 13.63 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.86 127.95 33.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.34 . . . . 0.0 111.152 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -96.8 133.63 41.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 38.7 mt -95.5 42.99 1.09 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.82 -30.6 11.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.923 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -98.09 29.19 3.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.031 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 16.8 m -113.1 164.96 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.0 mtmt -75.0 -69.26 0.48 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.024 0.44 . . . . 0.0 111.076 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -177.53 -38.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -52.17 -28.61 18.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -95.62 -22.35 17.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -96.82 33.3 1.9 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.967 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.92 -44.27 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.042 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -107.19 22.35 16.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.187 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.9 mttt 52.53 79.52 0.11 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.8 p -168.89 144.06 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.06 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.0 p -82.97 -176.48 6.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.969 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -75.47 -28.95 59.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.292 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 38.1 mm -61.76 -68.99 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.199 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -60.92 -19.04 60.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.37 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 47.8 t -55.16 -29.75 58.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 111.094 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -143.93 31.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -98.45 145.24 26.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -58.72 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.1 p -91.99 155.0 18.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -169.93 107.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.079 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.73 86.47 5.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 27.5 t -114.63 104.97 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 94.51 -40.5 2.71 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.585 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 162.14 -28.3 0.27 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 15.7 mt -111.64 150.38 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 111.009 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 10.0 mmt -76.33 138.0 40.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -145.39 176.43 9.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -129.35 131.01 46.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -83.94 101.88 12.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 4.5 t -84.42 123.68 30.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -60.42 -35.07 74.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -60.01 -65.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.798 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 36.1 m -65.8 -27.04 67.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.11 32.61 12.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -148.91 150.8 33.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.772 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -67.83 105.32 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -106.46 137.51 44.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 6.1 m -53.88 178.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.259 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 11.5 mt -98.24 31.09 2.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -78.11 -31.34 49.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.811 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 39.7 mp0 -106.15 -31.76 8.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -93.38 102.08 14.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.85 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.834 0.35 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 32.7 mt -123.8 137.65 56.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.039 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 22.2 p -92.85 154.66 18.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 12.3 t -59.41 145.35 43.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -97.08 29.65 3.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.438 ' CG1' ' CE1' ' A' ' 152' ' ' HIS . 57.4 t -119.31 122.35 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.041 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -59.27 155.45 14.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.5 m120 62.32 29.04 17.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 23.1 t -131.38 -68.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 58.73 53.05 49.36 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.519 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -98.88 138.29 36.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.765 0.317 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -89.67 130.27 35.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.001 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 8.0 mt -102.4 34.16 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.93 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 79.3 p -94.26 -31.2 14.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -88.65 -20.19 25.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 21.9 m -52.88 173.6 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.892 0.377 . . . . 0.0 111.332 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -74.88 -67.51 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.978 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -174.81 -40.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . 0.414 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 14.8 t80 -81.58 59.25 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.414 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 8.8 m170 -166.15 -46.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.784 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 7.0 ttm-85 -65.74 -52.12 53.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.832 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -30.8 68.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -82.76 -6.73 59.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.318 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.42 34.2 18.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.825 0.345 . . . . 0.0 111.073 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.5 p -146.23 137.66 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.021 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 21.7 p -73.05 -173.11 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.6 -29.77 56.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 39.3 mm -62.43 -69.27 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.195 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.438 ' CE1' ' CG1' ' A' ' 129' ' ' VAL . 50.4 m80 -60.22 -20.25 57.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.309 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -30.17 62.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -132.25 37.55 3.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -107.54 173.89 6.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 76.6 p -109.81 -32.18 7.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.52 126.27 51.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.008 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.418 ' HB1' ' CD2' ' A' ' 152' ' ' HIS . . . -148.37 118.96 7.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.064 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.63 107.65 10.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 24.7 t -135.19 126.06 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 58.47 33.39 71.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.461 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 69.93 27.51 73.01 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.558 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . 0.413 HG21 HD11 ' A' ' 163' ' ' ILE . 27.7 mt -147.52 140.01 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.768 0.318 . . . . 0.0 111.113 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.54 136.55 40.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -166.85 172.67 10.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . 0.402 ' HD3' ' CG ' ' A' ' 180' ' ' PHE . 11.5 ptm180 -138.74 159.98 40.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.947 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -75.66 164.5 26.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 2.0 t -136.39 113.57 10.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -63.6 -34.62 78.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -73.92 -67.56 0.59 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 58.9 m -61.85 -26.1 67.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 20.5 t 64.76 32.96 10.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.825 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.58 157.06 37.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.81 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.9 138.64 52.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . 0.409 ' HB2' ' CE2' ' A' ' 180' ' ' PHE . 48.2 m-70 -136.49 140.42 43.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 15.7 m -54.69 158.59 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.364 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.68 -26.9 64.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.3 -30.17 59.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.008 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -71.98 -54.3 10.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.837 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.409 ' CE2' ' HB2' ' A' ' 175' ' ' HIS . 16.4 m-85 -78.45 112.86 15.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.843 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.825 0.345 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 30.4 mt -113.73 155.02 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.075 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 27.4 p -112.89 155.53 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 10.2 t -69.08 126.36 29.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -58.45 -27.64 64.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 30.4 t -57.54 118.16 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.054 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -54.08 -65.4 0.58 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -71.09 65.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 15.1 t -158.63 -66.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.917 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 58.96 28.28 63.37 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.319 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -72.87 168.24 19.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.937 0.399 . . . . 0.0 111.129 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.03 129.48 56.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.797 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 27.3 mt -96.56 40.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 91.9 p -96.64 -31.73 12.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -76.91 -31.67 56.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 19.6 m -64.56 179.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.279 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm -120.53 -78.34 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.94 -175.4 3.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 2.0 t80 69.09 -66.64 0.24 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -73.68 -29.36 62.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.44 37.42 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.938 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -117.05 -40.04 3.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.788 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -119.94 27.44 8.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 57.63 93.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.084 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.0 p 179.29 146.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.997 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 16.9 p -93.47 178.04 5.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.744 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -69.64 -29.12 66.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.558 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 31.7 mm -62.44 -58.6 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.349 . . . . 0.0 111.435 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 52.4 m80 -78.55 -2.23 37.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.576 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 19.2 p -63.35 -36.46 83.78 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.955 0.407 . . . . 0.0 110.946 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.64 31.35 4.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -88.3 148.73 24.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.068 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 3.1 p -73.31 -31.0 63.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.149 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.2 158.15 44.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -165.83 129.82 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.23 99.96 12.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.823 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 21.1 t -121.73 108.97 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.065 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 92.95 -47.97 2.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 169.77 -32.63 0.17 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.462 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 4.5 mt -106.67 139.81 26.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 3.7 mmt -60.85 157.24 15.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -165.94 179.96 5.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.26 142.39 45.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.421 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 66.1 t80 -91.93 106.24 18.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 10.8 t -72.95 154.48 40.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -93.35 -50.53 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.62 -32.16 71.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.99 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 33.7 m -95.74 -31.01 13.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 2.6 m 61.62 41.47 12.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -147.78 148.22 30.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 3.7 m-85 -70.83 101.28 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -89.48 130.76 35.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 11.4 p -50.87 140.31 5.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.344 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 13.1 tp -61.54 120.9 11.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -138.16 -70.16 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.04 48.21 1.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.796 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -97.87 34.35 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.969 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.101 -0.952 . . . . 0.0 110.79 -179.941 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.849 0.357 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.7 mt -125.33 136.43 60.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 36.1 m -94.33 150.17 20.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 8.7 t -59.14 127.73 33.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -57.44 -32.85 67.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.953 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.421 HG21 ' CG ' ' A' ' 152' ' ' HIS . 43.2 t -55.18 115.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -46.67 -67.86 0.24 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.407 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.1 65.56 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 8.9 t -167.56 111.99 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.059 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -100.84 44.69 1.53 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.252 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -88.08 161.28 17.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 111.191 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -124.61 130.8 53.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.79 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 32.6 mt -97.55 38.33 1.29 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.7 t -98.08 -30.95 12.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.44 -30.82 29.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 20.5 m -59.15 176.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.133 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.68 -78.75 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -137.86 -178.52 5.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 16.0 t80 69.02 -66.51 0.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -87.06 55.36 3.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -156.53 -64.6 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.813 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.86 -31.6 71.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -81.62 -12.3 58.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.268 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.1 mttt 67.46 79.78 0.22 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.859 0.362 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.1 p 179.07 149.72 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 17.6 p -96.9 169.86 9.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.806 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.8 -24.87 66.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.741 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 23.0 mm -68.71 -65.89 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.694 0.283 . . . . 0.0 111.466 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.421 ' CG ' HG21 ' A' ' 129' ' ' VAL . 51.3 m80 -67.71 -12.25 60.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.638 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 53.5 p -57.79 -28.74 64.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.807 0.337 . . . . 0.0 110.973 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -147.4 34.52 0.87 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -86.37 170.92 11.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.97 -48.02 55.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 75.1 p -141.43 163.7 32.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -157.71 132.44 8.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.11 113.19 24.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.973 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 41.3 t -129.25 97.07 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.018 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 90.75 -48.47 3.05 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.529 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 175.63 -35.32 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 9.2 mt -101.21 131.73 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.738 0.304 . . . . 0.0 111.046 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 3.3 mtt -62.25 158.69 16.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -168.03 169.31 11.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 -117.35 -176.95 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -122.08 129.8 52.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.33 151.69 21.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.88 -42.73 7.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -84.04 -34.39 24.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.958 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.79 -27.45 23.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.028 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 23.6 m 64.17 170.93 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 62.09 159.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -74.3 135.0 42.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -131.44 134.82 46.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.8 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 21.3 t -56.88 145.94 6.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.17 61.59 6.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -79.56 -34.6 40.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.819 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -144.67 25.61 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -86.45 107.81 18.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.84 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.816 0.341 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.4 mt -132.44 132.36 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 21.5 p -85.51 153.45 22.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 35.2 t -63.63 130.05 42.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.779 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -57.05 -29.98 63.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.976 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.453 ' CG1' ' CE1' ' A' ' 152' ' ' HIS . 26.1 t -59.55 122.13 8.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.082 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -57.96 -59.34 5.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.92 64.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 5.0 t -153.49 -67.03 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 63.44 30.03 76.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -84.21 -177.44 6.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.778 0.323 . . . . 0.0 111.133 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -130.32 142.65 50.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 27.2 mt -118.06 44.87 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.9 m -95.03 -30.79 13.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -79.07 -31.17 44.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 31.6 m -59.66 -179.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -128.28 -78.16 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.53 175.32 9.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . 0.413 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 1.2 t80 59.06 30.26 20.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 8.6 m80 -165.91 -48.1 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -50.81 48.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -48.72 80.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -71.56 -13.79 61.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.314 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 10.9 mttm 61.99 78.87 0.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.893 0.378 . . . . 0.0 110.925 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.41 HG22 ' CZ ' ' A' ' 174' ' ' PHE . 10.8 p -178.9 141.24 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.008 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 18.2 p -74.46 -166.07 0.4 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.53 -31.66 19.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.944 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 2.6 mp -60.05 -72.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.111 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.453 ' CE1' ' CG1' ' A' ' 129' ' ' VAL . 52.8 m80 -57.41 -23.16 47.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.16 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.22 -25.88 49.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.866 0.365 . . . . 0.0 111.003 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -147.72 30.9 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.757 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -84.28 -173.08 4.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.253 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.41 -54.13 3.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.2 p -136.08 121.03 18.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.181 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -101.97 -169.72 1.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.27 93.55 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 25.4 t -130.94 123.83 54.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.023 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 71.53 28.38 69.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.458 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 69.22 26.4 74.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.52 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . 0.415 HG23 HD13 ' A' ' 163' ' ' ILE . 24.9 mt -148.8 136.57 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.836 0.351 . . . . 0.0 111.004 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.4 158.67 33.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -170.38 -177.81 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -148.22 136.92 21.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 168' ' ' CYS . 17.6 t80 -75.64 148.34 38.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' CYS . . . . . 0.443 ' N ' ' CD1' ' A' ' 167' ' ' PHE . 3.8 t -132.55 144.65 50.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -85.96 -36.32 19.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -74.86 -44.24 50.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.421 ' HB3' ' CD2' ' A' ' 175' ' ' HIS . 10.9 m -85.52 -26.87 25.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 63.74 159.18 0.09 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.767 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 61.33 160.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.41 ' CZ ' HG22 ' A' ' 148' ' ' VAL . 5.4 m-85 -61.95 149.76 39.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . 0.421 ' CD2' ' HB3' ' A' ' 171' ' ' CYS . 17.8 m-70 -148.14 124.74 11.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 11.4 p -54.89 152.48 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.271 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 38.5 mt -63.09 88.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -110.86 -33.02 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -157.06 31.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -104.73 112.53 25.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.955 179.919 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.767 0.317 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.7 mt -132.75 117.29 29.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 22.0 m -72.56 158.74 35.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.009 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 24.7 t -57.0 125.7 23.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.978 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -58.59 -26.17 63.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 46.9 t -55.99 136.27 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 0.0 110.979 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.21 -77.47 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.195 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -70.19 65.97 0.28 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 4.3 t -172.49 100.47 0.15 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -96.84 30.41 8.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.392 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.11 146.75 46.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 111.179 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -109.24 115.0 29.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 16.1 mt -87.98 54.96 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.9 p -97.18 -29.95 13.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.35 39.03 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 6.1 m -106.3 173.34 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.75 -78.31 0.15 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.018 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -168.04 -42.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . 0.425 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 7.8 t80 -76.11 61.07 1.52 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.425 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 2.5 m170 -174.37 -41.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.715 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -68.46 -51.44 43.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.85 -31.25 64.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -86.08 -13.13 48.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.243 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.81 55.55 2.61 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.892 0.377 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.6 p -156.06 150.78 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 22.6 p -88.1 -170.66 3.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.001 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.22 -34.09 49.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.062 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 2.6 mp -59.65 -72.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.042 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -57.18 -26.61 60.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.053 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.23 -30.23 66.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.926 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.73 35.99 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -95.53 -171.54 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.035 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 82.1 p -106.5 -35.92 6.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.1 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.87 147.68 48.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.094 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -157.21 140.78 15.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.93 106.97 19.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.23 124.78 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 63.77 38.19 95.8 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.515 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 64.68 26.61 71.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . 0.446 HG22 HD12 ' A' ' 163' ' ' ILE . 31.4 mt -147.38 159.09 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 111.136 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 1.1 mmt -94.94 140.54 29.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.721 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -161.81 -178.01 6.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -140.35 139.02 35.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.415 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 42.3 t80 -79.79 127.01 31.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 4.6 p -114.4 132.1 56.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -64.13 -30.87 71.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.65 -75.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.81 -26.93 63.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.07 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.74 31.27 14.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -138.62 143.94 39.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 1.7 m-85 -68.9 96.89 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -103.33 144.49 31.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 5.5 m -51.74 176.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.278 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 2.9 mt -97.96 31.29 2.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -100.7 34.82 2.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.948 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -164.79 -44.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -76.0 130.1 37.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.821 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.918 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 120.934 0.397 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.8 mt -108.6 153.73 10.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.044 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.3 m -114.53 153.52 29.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 44.4 t -67.97 125.46 26.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -59.05 -29.65 67.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.457 ' CG1' ' CE1' ' A' ' 152' ' ' HIS . 30.6 t -58.69 120.7 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.75 155.73 18.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 60.72 29.34 18.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 17.7 t -137.11 103.41 5.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -92.29 46.91 2.61 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -85.27 108.84 17.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.329 . . . . 0.0 111.122 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -75.96 127.73 33.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 46.0 mt -96.39 41.78 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 29.6 t -99.28 -34.66 10.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -77.68 -30.74 52.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 30.4 m -58.96 173.15 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -111.59 -77.19 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.47 179.0 6.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.773 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 9.8 t80 69.33 -66.0 0.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -89.21 51.27 2.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -150.54 -56.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -71.11 -34.54 71.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.698 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -80.57 -14.1 58.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.2 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 7.2 mttm 64.6 80.49 0.23 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.775 0.321 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.8 p -179.57 124.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.7 p -58.41 -166.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.802 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -88.75 -29.21 19.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.153 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 39.5 mm -61.58 -70.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.361 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.457 ' CE1' ' CG1' ' A' ' 129' ' ' VAL . 51.8 m80 -60.68 -24.32 65.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.301 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 6.0 t -55.89 -29.58 60.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.029 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.66 32.49 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -100.4 167.29 10.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 45.0 p -94.04 -27.89 16.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.03 150.11 50.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.16 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -166.57 143.45 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.21 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.07 111.71 24.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 17.2 t -131.63 102.18 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 93.11 -48.02 2.44 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 169.64 -32.6 0.17 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.412 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 3.6 mt -100.83 135.56 36.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.8 0.333 . . . . 0.0 111.07 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.34 164.09 4.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.6 178.66 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . 0.421 ' HD3' ' CG ' ' A' ' 180' ' ' PHE . 0.2 OUTLIER -144.91 116.53 8.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.42 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 53.0 t80 -72.68 126.22 29.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.26 -178.36 3.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -101.73 -47.54 4.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -82.0 -48.5 11.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.81 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 91.7 m -59.96 -36.93 78.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 2.4 m 60.85 165.95 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 62.18 150.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 4.3 m-85 -73.46 105.45 4.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -108.19 132.91 53.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.012 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 16.5 m -52.66 -178.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.243 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.09 38.93 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.049 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -112.46 -32.31 6.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.075 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.09 31.27 2.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.922 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.421 ' CG ' ' HD3' ' A' ' 166' ' ' ARG . 97.7 m-85 -138.04 31.1 2.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.75 -179.948 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.788 0.328 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 18.9 mm -101.81 156.35 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.0 p -125.04 151.07 46.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 10.1 t -69.37 124.4 23.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -59.05 -25.96 64.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 39.2 t -57.36 124.43 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -58.36 -67.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.072 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -70.37 65.65 0.29 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.982 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 9.8 t -155.84 -66.87 0.12 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 59.56 28.26 64.87 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.485 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -73.47 173.62 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -119.74 139.98 51.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 55.7 mt -115.51 48.32 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 27.7 t -97.49 -28.92 13.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.0 34.78 1.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 4.1 m -112.16 179.38 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.196 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -95.09 -69.49 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -174.18 -38.69 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.006 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -50.49 -27.54 6.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.258 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -107.9 -29.79 8.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -53.35 58.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -71.49 -44.08 65.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.99 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -59.11 -21.72 59.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 65.71 71.28 0.43 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.997 0.427 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 8.7 p 179.17 155.26 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 20.8 p -89.53 179.32 6.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.841 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -71.11 -25.9 62.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.433 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 32.4 mm -66.6 -69.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.468 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -62.71 -28.54 70.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.202 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 13.2 t -58.52 -31.52 67.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -125.67 32.97 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -101.53 170.9 7.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.62 -30.84 18.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.073 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 3.5 p -141.01 167.13 22.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.095 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -161.84 177.83 9.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.02 99.68 4.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 12.7 t -131.13 125.58 57.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 68.14 34.44 81.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.519 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 65.17 28.1 73.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.518 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 33.7 mt -146.39 158.75 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.15 154.86 19.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.756 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.28 -179.09 3.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -149.71 131.5 15.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.53 112.54 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.45 -9.81 59.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.334 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 65.35 -75.85 0.05 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -54.82 40.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 24.1 m -65.76 -25.34 67.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.023 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.64 165.54 0.18 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.27 144.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -67.21 124.13 22.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -110.11 127.48 54.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 11.2 p -58.69 143.55 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.175 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 1.8 mp -64.12 120.19 11.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -147.89 -49.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -119.21 -37.42 3.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -57.04 128.64 37.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.885 0.374 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 28.6 mt -135.86 116.79 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.182 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 35.1 m -63.95 157.91 23.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 24.8 t -58.05 146.9 31.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -96.6 34.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.446 HG13 ' CE1' ' A' ' 152' ' ' HIS . 46.9 t -117.74 134.68 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -58.13 139.68 54.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 63.44 30.52 15.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.031 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 9.0 t -146.0 82.51 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.934 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -92.94 46.08 2.48 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -75.71 118.11 18.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.34 . . . . 0.0 111.167 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -71.46 127.13 31.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.78 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 84.5 mt -92.69 47.9 1.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.54 -22.32 17.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.017 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -95.46 35.06 1.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.066 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 7.3 m -127.86 170.79 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.084 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -115.36 -38.49 3.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.54 -178.08 0.72 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . 0.408 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 3.0 t80 58.81 27.02 15.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.011 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 17.4 m170 -161.86 -49.24 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -75.41 -37.86 60.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -69.39 -32.72 71.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -96.55 -11.15 25.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 30.8 mttt 65.68 78.37 0.27 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.94 0.4 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.6 p -174.8 135.65 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 22.7 p -73.91 -169.51 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.87 -28.88 32.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.247 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 37.4 mm -63.79 -69.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.226 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.446 ' CE1' HG13 ' A' ' 129' ' ' VAL . 50.6 m80 -60.03 -27.82 67.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.128 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.1 t -58.63 -30.29 67.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -131.07 36.74 3.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.813 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -99.27 -174.89 2.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.74 -34.45 7.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.2 p -139.81 105.65 5.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -108.89 133.01 53.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.85 123.98 31.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 19.1 t -152.35 111.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 74.27 32.12 58.51 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 77.42 2.71 80.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.955 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 5.1 mt -128.73 158.53 41.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.805 0.336 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 7.1 mtt -92.4 168.39 11.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.17 178.51 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -136.11 125.46 24.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -62.67 116.89 5.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.3 131.72 38.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.811 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -83.07 -30.38 28.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -83.1 -54.09 5.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -77.62 -20.41 53.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.195 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 15.0 m 65.87 163.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 110.922 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 49.2 mtm180 62.0 166.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -69.23 155.64 40.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 180' ' ' PHE . 5.4 m-70 -144.28 118.52 9.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.009 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 11.9 p -54.46 154.96 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.263 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 30.5 mt -71.47 128.3 35.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -172.6 78.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.61 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.17 35.37 2.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.777 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 175' ' ' HIS . 5.0 m-85 -85.44 -31.03 23.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.873 180.0 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.839 0.352 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.2 mt -103.44 155.75 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 10.3 m -108.17 156.68 19.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 21.5 t -63.73 125.63 24.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -57.51 -25.4 59.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.421 HG13 ' CE1' ' A' ' 152' ' ' HIS . 42.3 t -58.76 135.57 23.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -76.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -69.41 67.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.898 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 4.7 t -171.13 103.98 0.22 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -97.58 27.79 17.17 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.411 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.35 141.34 57.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.774 0.321 . . . . 0.0 111.182 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.6 114.7 29.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.5 mt -85.14 57.19 4.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 8.4 t -110.43 -33.3 6.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.33 -31.54 64.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.838 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 31.0 m -63.88 176.72 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -101.46 -76.95 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -148.06 -169.8 3.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 9.1 t80 69.08 -66.89 0.23 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -66.91 -33.01 74.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.4 ttm-85 -71.41 -49.32 43.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -59.77 -36.21 76.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -75.77 -17.1 60.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.184 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 36.7 mttp 66.03 44.03 2.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.898 0.38 . . . . 0.0 110.799 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.0 p -147.78 141.79 19.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.016 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 21.5 p -79.24 -176.31 5.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.1 -28.25 61.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.199 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 35.3 mm -64.12 -70.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.318 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.421 ' CE1' HG13 ' A' ' 129' ' ' VAL . 50.8 m80 -62.22 -17.99 59.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.31 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.27 -55.84 21.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.965 0.412 . . . . 0.0 111.132 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.84 37.58 3.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.043 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -96.55 175.44 6.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.226 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 6.4 m -107.86 -29.15 9.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 1.8 p -125.35 126.28 44.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -141.75 125.32 16.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.28 103.09 13.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 15.2 t -138.22 136.14 44.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 58.96 29.09 64.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.523 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 68.76 22.13 75.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.559 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 19.2 mt -150.77 133.36 6.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.787 0.327 . . . . 0.0 111.012 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 1.3 mtt -65.8 145.71 55.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -162.51 178.87 8.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 6.9 mtp-105 -125.94 165.35 18.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.807 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -119.6 111.64 18.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 9.0 t -99.8 129.17 45.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -63.4 -33.48 75.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -72.79 -43.07 63.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 86.2 m -68.73 -29.88 68.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.63 34.79 17.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.72 158.25 3.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -75.09 134.36 41.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -135.15 139.76 44.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 5.4 m -50.76 178.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.454 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 8.3 mt -93.62 44.23 1.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -109.04 -30.62 7.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.794 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -106.38 28.67 7.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -142.81 134.72 26.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.924 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.848 0.356 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 30.6 mt -137.13 154.49 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.8 m -106.09 162.09 13.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 14.8 t -60.01 144.23 49.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -82.1 -24.88 34.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 39.8 t -54.33 133.68 17.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.17 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -54.85 -75.12 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.201 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -69.79 65.96 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 8.6 t -169.16 127.62 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.0 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -123.07 42.39 1.61 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.356 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -83.17 172.31 12.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 111.174 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -119.01 166.0 13.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.2 mt -138.26 32.29 2.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 26.3 p -87.48 -31.48 19.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -74.42 -30.86 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 30.7 m -70.09 176.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.164 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -115.17 -77.83 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -132.68 171.97 13.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . 0.4 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 1.2 t80 60.21 33.05 21.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.408 ' CE1' ' HG2' ' A' ' 150' ' ' GLU . 8.5 m170 -164.17 -44.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -82.9 -53.14 6.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.26 -31.82 71.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -85.36 -13.33 49.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.298 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.92 80.72 0.22 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.861 0.362 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 9.2 p -179.84 130.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 30.0 p -67.82 -172.13 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.408 ' HG2' ' CE1' ' A' ' 143' ' ' HIS . 1.0 OUTLIER -84.93 8.32 18.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.857 -179.612 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.404 HD12 HG23 ' A' ' 151' ' ' ILE . 38.1 mm -104.11 -67.08 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 0.0 111.108 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -62.3 -21.24 65.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.38 -27.83 64.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.014 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -139.14 31.54 2.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.813 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -90.82 -173.9 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -100.65 -41.9 6.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.219 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 67.5 p -131.42 133.25 45.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -134.26 116.64 15.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.93 102.76 4.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.002 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 4.4 t -134.45 115.9 20.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 69.06 36.04 79.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.473 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 69.95 25.59 75.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.561 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 22.0 mt -150.82 158.83 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 0.0 111.04 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 12.3 mtt -99.35 147.87 24.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . 0.415 ' HG3' ' CD1' ' A' ' 174' ' ' PHE . 0.1 OUTLIER -149.68 -178.79 6.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.975 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 35.5 ttt-85 -138.62 124.67 20.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -66.93 112.58 4.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.9 151.63 23.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.98 -47.02 21.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -69.17 -41.78 76.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 15.5 m -72.48 -30.25 64.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 69.1 m 61.9 30.12 18.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -177.19 161.06 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . 0.415 ' CD1' ' HG3' ' A' ' 165' ' ' GLN . 54.6 m-85 -60.11 156.77 14.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . 0.401 ' CD2' ' O ' ' A' ' 174' ' ' PHE . 30.3 m-70 -164.03 41.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 22.0 t 61.0 155.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 92.7 mt -77.84 69.25 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.792 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -96.27 40.07 1.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.987 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 58.51 70.57 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -95.64 154.32 17.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.921 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.941 0.4 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.474 HG23 HD12 ' A' ' 125' ' ' ILE . 30.4 mt -142.84 99.27 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.092 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.07 158.99 6.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 8.8 t -58.66 145.86 38.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -96.73 24.88 5.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.058 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 24.6 t -109.23 148.26 13.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.968 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -72.58 145.6 47.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.038 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 62.39 30.88 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 16.8 t -144.78 105.82 4.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.886 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -100.06 34.15 5.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.388 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.18 141.55 53.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.843 0.354 . . . . 0.0 111.063 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -104.37 119.66 39.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 33.7 mt -99.53 58.28 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 35.4 t -106.48 -45.41 4.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -71.14 -27.9 63.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 25.7 m -56.39 179.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.19 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -96.12 -75.8 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.985 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -157.95 -43.62 0.06 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -47.7 -42.77 25.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.297 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -106.09 40.23 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.87 -48.86 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -63.11 -31.9 73.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -83.84 -3.19 57.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.386 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.401 ' CG ' ' CG2' ' A' ' 125' ' ' ILE . 0.4 OUTLIER 61.2 28.09 17.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.718 0.294 . . . . 0.0 111.126 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.3 p -128.38 142.6 43.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.2 p -83.7 -171.48 3.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -75.45 -33.45 60.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.043 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 50.2 mm -61.94 -42.84 96.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.277 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -95.46 26.53 3.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.188 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 34.1 t -104.71 -31.56 9.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.727 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.0 29.37 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -91.96 159.25 15.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.072 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 31.3 p -97.26 24.15 6.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.296 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -179.06 135.49 0.13 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -150.97 135.32 16.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.0 100.77 10.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.995 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 39.0 t -127.64 132.33 69.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 62.63 28.39 71.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.506 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 72.12 31.09 64.39 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.535 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 25.4 mt -147.87 158.94 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 0.0 111.111 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 6.3 mmt -93.46 133.89 36.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.21 -178.75 6.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.057 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -146.31 136.09 23.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.801 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -84.6 143.32 29.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.62 163.71 24.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -97.58 -53.67 3.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -63.01 -40.92 99.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 56.1 m -84.25 -31.15 25.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 11.8 t 61.1 167.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 60.73 158.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.76 131.31 44.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -122.84 131.52 53.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.828 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 14.1 m -49.59 164.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.534 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.77 37.62 1.28 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -81.51 -30.6 33.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.748 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.49 -37.87 4.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.751 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -68.49 123.06 19.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.903 -179.929 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.831 0.348 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.48 HG21 ' HG2' ' A' ' 147' ' ' LYS . 20.0 mt -100.89 156.74 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.074 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.426 ' N ' HG22 ' A' ' 125' ' ' ILE . 8.0 p -109.22 159.54 16.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 17.3 t -65.06 139.53 58.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -75.98 -29.97 58.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.581 HG13 ' O ' ' A' ' 159' ' ' LEU . 24.2 t -59.24 141.97 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.134 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.93 156.33 37.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.825 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 61.72 25.71 15.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 12.8 t -137.67 104.12 5.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.866 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -96.64 30.79 8.29 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.449 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.31 132.27 49.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 111.142 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -91.22 120.52 32.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 18.7 mt -87.98 54.3 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.795 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 87.8 p -107.3 -31.82 8.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.92 -33.1 68.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.963 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 10.3 m -61.6 170.08 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -111.17 -37.92 5.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.054 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.9 -174.84 0.69 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 2.8 t80 68.55 -67.51 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.956 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -64.92 -30.33 71.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -27.1 22.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.068 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -45.25 83.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -95.93 15.23 21.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.489 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.48 ' HG2' HG21 ' A' ' 125' ' ' ILE . 9.0 mtmt 50.2 86.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.908 0.385 . . . . 0.0 111.192 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.2 p -178.63 136.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.046 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 20.8 p -72.24 -171.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.721 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.62 -27.95 31.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.228 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 37.0 mm -62.29 -70.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.223 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -59.85 -25.0 64.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.18 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 14.4 t -56.21 -44.89 79.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.059 0.457 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -118.79 36.84 4.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.648 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -100.12 -179.91 4.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.057 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.72 -48.16 4.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 10.4 p -120.29 139.29 52.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.236 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -142.59 148.43 37.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.581 ' O ' HG13 ' A' ' 129' ' ' VAL . 0.2 OUTLIER -108.62 109.21 20.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 17.7 t -129.3 100.06 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.161 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 93.77 -45.38 2.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.467 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 165.39 -30.17 0.21 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.416 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 3.9 mt -99.1 135.25 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.361 . . . . 0.0 111.026 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.714 ' HB3' HD21 ' A' ' 177' ' ' LEU . 0.1 OUTLIER -65.14 146.32 55.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.955 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -154.97 177.12 11.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.94 128.6 30.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.79 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.433 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 61.4 t80 -75.85 128.18 34.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -87.13 155.45 20.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -98.56 -46.29 5.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -65.74 -55.81 15.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 59.0 m -74.01 -30.64 62.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.08 69.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.06 149.2 1.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 2.2 m-85 -73.6 147.33 43.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -161.09 137.83 8.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 15.7 m -48.81 146.93 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.152 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.714 HD21 ' HB3' ' A' ' 164' ' ' MET . 3.4 pp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.874 0.368 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 27.7 mt -112.34 123.25 67.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.46 146.92 29.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 35.3 t -57.24 136.38 56.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.978 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -58.19 -35.74 72.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.949 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.848 HG21 ' CG ' ' A' ' 152' ' ' HIS . 23.0 t -59.08 124.66 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -64.69 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.052 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -70.04 65.83 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 22.4 t -159.78 -66.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 59.39 33.41 75.95 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.48 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.21 150.95 31.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 0.0 111.171 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -94.2 137.2 33.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.804 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 60.7 mt -112.17 37.76 2.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 42.7 t -95.26 -25.18 16.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.008 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.39 38.31 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.979 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 8.8 m -127.42 170.43 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -98.12 -79.73 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.998 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -138.65 -179.11 5.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 69.41 -65.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -87.42 52.89 2.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -152.19 -61.79 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.727 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -34.29 76.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.621 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 36.8 m170 -78.96 -13.98 59.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.23 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.85 81.39 0.21 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.932 0.396 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.4 p -178.91 133.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 29.4 p -71.57 -172.59 0.8 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -84.89 7.97 19.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.779 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 40.5 mm -104.41 -68.45 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.713 0.292 . . . . 0.0 111.067 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.848 ' CG ' HG21 ' A' ' 129' ' ' VAL . 48.8 m80 -62.78 -24.65 67.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.079 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 24.8 t -56.81 -30.0 63.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.99 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -139.21 35.94 2.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -95.78 -173.78 2.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.063 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.38 -35.28 13.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 1.1 p -140.13 160.69 39.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.165 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.427 ' HB1' HG22 ' A' ' 129' ' ' VAL . . . -161.69 125.58 3.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.96 100.57 11.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.516 HG22 ' HA ' ' A' ' 129' ' ' VAL . 34.3 t -128.91 132.8 67.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.078 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 58.15 37.23 85.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.521 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 63.4 24.51 67.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.539 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 29.8 mt -148.54 140.69 18.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.838 0.351 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.543 ' HB3' HD11 ' A' ' 177' ' ' LEU . 6.5 mmt -80.62 123.71 28.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -140.95 179.16 6.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.796 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -125.58 158.51 34.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.421 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 53.9 t80 -113.11 141.6 46.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 168' ' ' CYS . . . . . 0.402 ' O ' ' CE2' ' A' ' 167' ' ' PHE . 0.5 OUTLIER -113.72 174.9 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -104.37 -31.42 9.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -72.81 -54.6 8.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 28.0 p -86.98 -30.38 21.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 11.8 p 59.09 36.99 24.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -125.74 136.7 53.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 3.2 m-85 -71.38 79.1 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.944 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -83.87 143.37 29.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 6.0 m -51.79 179.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.416 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 164' ' ' MET . 2.4 mt . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.053 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.769 0.318 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.837 HD12 ' HG3' ' A' ' 144' ' ' ARG . 25.0 mt -125.18 155.73 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.432 ' N ' HG22 ' A' ' 125' ' ' ILE . 8.8 t -114.72 160.23 19.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.008 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.52 126.63 29.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -59.65 -30.65 68.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.415 HG21 ' CG ' ' A' ' 152' ' ' HIS . 32.2 t -59.34 148.03 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -90.97 158.95 16.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.866 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 17.3 m120 60.68 25.41 15.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 42.0 t -118.9 -68.57 0.91 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.856 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 66.41 42.92 93.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.483 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.517 ' HB3' ' HB3' ' A' ' 149' ' ' CYS . . . -87.2 127.12 35.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -72.25 149.95 44.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 44.1 mt -128.6 48.01 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.5 m -103.43 -30.98 10.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -89.04 -22.4 22.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' VAL . . . . . 0.554 HG12 ' OE2' ' A' ' 150' ' ' GLU . 29.9 m -53.26 168.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.373 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -75.44 -78.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -167.63 -42.1 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.088 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -55.93 -33.53 64.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.974 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -99.75 34.45 2.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.837 ' HG3' HD12 ' A' ' 125' ' ' ILE . 2.2 tpp85 -124.58 -63.18 1.2 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -32.57 70.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -75.34 -13.27 60.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.316 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.418 ' HG2' HG21 ' A' ' 125' ' ' ILE . 12.1 mttt 61.49 64.41 1.06 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.883 0.373 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.7 p -164.94 133.82 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.0 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' CYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 134' ' ' ALA . 20.0 p -67.56 -167.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.791 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.554 ' OE2' HG12 ' A' ' 139' ' ' VAL . 1.6 mp0 -88.23 -27.96 21.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.237 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 41.7 mm -61.11 -68.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.263 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.415 ' CG ' HG21 ' A' ' 129' ' ' VAL . 52.1 m80 -61.59 -18.22 58.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.469 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 5.3 p -55.52 -31.1 61.8 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.822 0.344 . . . . 0.0 111.094 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -138.1 39.34 2.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -100.93 -176.09 3.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.071 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 6.1 p -112.47 -44.21 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.9 p -112.34 131.81 55.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.109 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 165' ' ' GLN . . . -151.17 131.39 13.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.498 HD13 ' N ' ' A' ' 160' ' ' VAL . 0.2 OUTLIER -92.97 121.32 34.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.498 ' N ' HD13 ' A' ' 159' ' ' LEU . 10.7 t -139.44 91.4 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 94.63 -46.61 2.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 173.93 -34.62 0.11 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.412 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 23.0 mt -99.73 135.86 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.343 . . . . 0.0 111.089 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.18 164.01 7.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 165' ' ' GLN . . . . . 0.437 ' O ' ' HB3' ' A' ' 158' ' ' ALA . 4.3 pt20 -177.56 176.76 1.23 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.809 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.46 144.41 28.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -71.37 157.73 37.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 73.9 m -127.57 135.26 50.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -72.82 -30.46 64.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.006 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -81.8 -69.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 1.3 t -59.06 -28.02 66.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.012 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 4.2 m 61.49 31.57 18.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.45 160.91 40.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.811 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -80.91 117.71 21.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.787 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -109.33 144.63 37.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 21.2 t -57.8 146.36 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 6.0 tp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.819 179.925 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.833 0.349 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 27.8 mt -127.39 138.87 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 75.9 m -93.16 155.34 17.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.003 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 8.6 t -60.79 129.38 41.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -67.82 -28.66 67.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 159' ' ' LEU . 21.9 t -58.49 141.95 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.175 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -75.47 153.46 37.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 62.93 27.37 15.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 12.2 t -140.14 83.39 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.914 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -83.42 57.55 5.06 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.444 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -96.8 144.23 26.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 111.174 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.01 127.72 46.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.458 HD22 ' O ' ' A' ' 143' ' ' HIS . 35.9 mt -91.49 50.47 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.7 m -106.67 -34.19 7.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.841 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -77.36 -28.55 52.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 29.5 m -57.31 173.13 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.204 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -74.07 0.16 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.71 -41.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -59.26 -30.89 68.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.458 ' O ' HD22 ' A' ' 136' ' ' LEU . 10.7 m170 -98.82 37.62 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -130.4 -64.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -31.42 69.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -69.96 -15.51 63.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.353 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? 65.66 48.67 1.9 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.97 0.414 . . . . 0.0 110.909 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.3 p -156.11 140.54 8.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.978 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.2 p -82.56 -168.84 2.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.836 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -79.2 -33.64 43.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.207 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.723 ' O ' ' HB2' ' A' ' 155' ' ' ALA . 49.3 mm -61.36 -43.67 97.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.385 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.492 ' CG ' HG21 ' A' ' 129' ' ' VAL . 47.7 m80 -93.95 20.8 7.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.301 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 20.4 t -92.42 -31.45 15.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.596 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.49 30.16 0.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.803 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' A' ' 151' ' ' ILE . . . -76.42 168.56 19.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 4.6 p -73.09 -30.38 63.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.064 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -155.98 161.67 40.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.184 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -150.53 157.03 42.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.641 ' O ' HG13 ' A' ' 129' ' ' VAL . 0.2 OUTLIER -116.46 114.69 24.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.005 -179.88 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' A' ' 129' ' ' VAL . 11.2 t -142.76 132.97 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.194 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 56.15 31.81 59.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.631 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 67.26 28.02 73.61 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.545 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 28.2 mt -146.18 137.9 19.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.23 143.85 50.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -167.79 179.28 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -141.01 162.41 35.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -99.8 138.53 36.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.73 148.2 30.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -87.99 -30.73 19.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.97 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -84.62 -32.36 23.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.971 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 13.6 m -86.34 -29.74 22.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 66.5 m 62.15 29.68 17.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -154.21 157.53 38.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.816 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -71.22 136.46 48.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.05 135.53 50.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.756 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 4.8 m -49.17 174.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.442 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.01 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.544 ' HB2' ' OG ' ' A' ' 137' ' ' SER . . . . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.835 0.35 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.596 ' O ' HD12 ' A' ' 136' ' ' LEU . 4.8 mt -121.62 94.09 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.005 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.22 157.19 11.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.969 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 26.4 t -58.24 133.32 55.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -63.88 -29.88 71.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.954 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.698 HG11 ' NE2' ' A' ' 152' ' ' HIS . 31.8 t -61.54 145.65 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.075 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.32 154.18 35.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 22.0 m120 59.89 30.73 20.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 4.3 t -138.55 103.57 4.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.793 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -96.17 38.21 3.18 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.537 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.82 114.85 7.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 0.0 111.088 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.78 124.25 26.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 125' ' ' ILE . 39.0 mt -107.72 45.11 1.02 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.544 ' OG ' ' HB2' ' A' ' 124' ' ' ALA . 0.8 OUTLIER -92.87 -40.73 10.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -107.22 41.36 1.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 5.1 m -100.28 -179.96 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -82.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 t0 178.39 -43.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -56.77 -29.49 62.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.069 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -90.95 -28.74 17.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.568 ' HG2' HD12 ' A' ' 125' ' ' ILE . 2.1 tmt_? -69.53 -34.34 74.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.003 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.29 -30.47 48.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.996 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 172' ' ' SER . 6.0 m80 -82.94 -10.79 58.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.37 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 14.9 mttt 63.17 47.67 4.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.891 0.376 . . . . 0.0 110.761 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.484 HG22 ' N ' ' A' ' 149' ' ' CYS . 12.3 p -150.63 159.0 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.015 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' CYS . . . . . 0.484 ' N ' HG22 ' A' ' 148' ' ' VAL . 20.5 p -90.61 -169.77 2.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.951 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -80.57 -30.89 36.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.02 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 41.7 mm -60.58 -69.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.698 ' NE2' HG11 ' A' ' 129' ' ' VAL . 49.9 m80 -59.7 -22.73 62.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.75 -37.91 66.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.923 0.392 . . . . 0.0 111.074 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.64 -21.42 11.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.161 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.643 ' HB3' ' HA ' ' A' ' 152' ' ' HIS . . . -53.28 163.51 0.57 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.801 0.334 . . . . 0.0 111.256 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.443 HG22 ' HE ' ' A' ' 166' ' ' ARG . 0.2 OUTLIER -96.45 -55.17 3.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 1.4 p -94.68 132.26 39.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -146.98 128.6 15.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.51 88.34 7.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.652 HG22 ' HA ' ' A' ' 129' ' ' VAL . 27.2 t -115.14 114.87 47.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.063 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 89.89 -50.05 3.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.602 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 171.86 -33.34 0.14 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 22.0 mt -110.99 153.6 12.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.731 0.3 . . . . 0.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.38 144.39 49.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.807 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' GLN . . . . . 0.401 ' HB3' ' HA ' ' A' ' 176' ' ' VAL . 1.9 pt20 -151.9 176.6 11.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.04 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 166' ' ' ARG . . . . . 0.443 ' HE ' HG22 ' A' ' 156' ' ' THR . 8.4 mtt180 -120.0 168.04 11.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.77 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -125.37 83.79 2.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.7 133.67 54.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -70.11 -42.97 71.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -65.83 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 91.4 m -63.34 -36.24 83.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 172' ' ' SER . . . . . 0.578 ' HB3' ' CE1' ' A' ' 146' ' ' HIS . 8.1 m 59.92 70.03 0.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -176.54 133.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -63.4 109.28 1.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -117.84 136.63 53.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.022 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.401 ' HA ' ' HB3' ' A' ' 165' ' ' GLN . 14.7 m -53.86 178.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.386 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 10.7 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.03 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.796 0.332 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.1 mm -101.33 152.48 5.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -121.13 147.74 45.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 16.3 t -57.12 140.54 49.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.767 ' O ' HG13 ' A' ' 160' ' ' VAL . 28.1 pt20 -94.64 40.94 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.601 HG22 HG22 ' A' ' 160' ' ' VAL . 31.1 t -128.63 130.59 68.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.64 150.75 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 35.1 m120 62.43 25.61 15.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 8.8 t -144.95 97.4 3.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.949 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -96.5 29.16 10.74 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.484 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.5 127.22 30.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 111.21 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -89.58 122.76 33.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 76.2 mt -84.9 57.23 4.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.3 m -107.63 -24.46 11.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.97 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -96.69 32.0 2.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.029 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 18.9 m -118.79 170.06 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.117 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.47 -39.52 3.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -174.44 -177.77 1.28 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.016 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' TYR . . . . . 0.419 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 0.9 OUTLIER 58.54 25.39 13.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.037 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.419 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 47.2 m-70 -161.8 -45.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 110.752 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -62.07 -32.81 73.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.25 -41.31 11.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -71.62 -22.28 61.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 1.5 mttp 66.24 75.66 0.33 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.5 p -179.4 134.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.989 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.5 p -73.14 -172.34 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.778 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -77.54 -31.24 53.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.238 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 43.6 mm -63.09 -42.64 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.419 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -96.4 33.72 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.992 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 41.1 t -110.18 -32.7 6.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.754 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -131.67 32.17 4.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -106.35 175.13 5.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.46 -34.94 6.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.34 129.27 53.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 165' ' ' GLN . . . -162.31 123.17 2.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.564 ' O ' HG13 ' A' ' 129' ' ' VAL . 0.2 OUTLIER -88.37 106.64 18.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.767 HG13 ' O ' ' A' ' 128' ' ' GLN . 24.2 t -116.33 97.49 5.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.234 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.42 -46.22 2.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.537 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 172.03 -31.62 0.12 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.603 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 4.8 mt -94.15 139.29 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.944 0.402 . . . . 0.0 111.042 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.646 ' HB3' HD11 ' A' ' 177' ' ' LEU . 7.6 mmt -69.94 117.99 12.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.95 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 165' ' ' GLN . . . . . 0.531 ' O ' ' HB3' ' A' ' 158' ' ' ALA . 0.0 OUTLIER -147.12 179.79 7.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -136.97 151.24 48.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -71.16 122.85 20.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 2.7 t -88.96 121.85 31.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -67.57 -38.44 84.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -65.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 30.9 t -58.57 -23.41 58.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 16.7 m 65.07 32.5 10.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.809 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 41.1 mtt85 -152.5 172.99 15.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.569 ' CG ' HG21 ' A' ' 160' ' ' VAL . 10.2 m-85 -88.71 120.55 30.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -125.02 146.55 49.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.82 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.411 ' HA ' ' HB3' ' A' ' 165' ' ' GLN . 15.8 m -48.42 171.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.452 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.646 HD11 ' HB3' ' A' ' 164' ' ' MET . 3.7 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.865 0.364 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.42 HD12 ' HG2' ' A' ' 144' ' ' ARG . 31.9 mt -108.68 155.21 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.41 ' N ' HG22 ' A' ' 125' ' ' ILE . 21.1 m -118.89 149.48 41.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 24.3 t -59.83 131.32 50.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -63.55 -31.7 72.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.785 HG11 ' CE1' ' A' ' 152' ' ' HIS . 21.0 t -58.22 122.92 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.316 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.55 157.54 32.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 60.58 27.9 17.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 52.3 t -134.26 110.74 9.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -92.19 46.16 2.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.367 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -86.18 99.71 11.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.883 0.373 . . . . 0.0 111.113 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -71.21 132.78 45.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.707 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.738 HD13 ' HA ' ' A' ' 144' ' ' ARG . 67.3 mt -95.49 41.03 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.6 t -109.1 -28.05 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.997 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.58 30.98 2.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 5.6 m -122.32 175.95 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.136 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -106.08 -78.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.29 -179.11 6.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' TYR . . . . . 0.402 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 0.9 OUTLIER 60.2 30.87 20.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.402 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 13.5 m170 -162.97 -45.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.738 ' HA ' HD13 ' A' ' 136' ' ' LEU . 3.2 tmt_? -76.41 -44.42 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -42.53 79.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 64.7 m80 -79.74 -5.68 55.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.499 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt 62.62 75.57 0.4 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.868 0.366 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.745 HG11 ' CE2' ' A' ' 167' ' ' PHE . 9.5 p 179.73 139.35 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 15.2 p -81.05 -177.11 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.819 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.98 -33.5 63.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.336 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 48.7 mm -61.35 -42.52 93.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.495 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.785 ' CE1' HG11 ' A' ' 129' ' ' VAL . 41.6 m80 -95.11 23.46 5.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.171 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 22.7 t -96.5 -30.63 13.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.906 0.384 . . . . 0.0 110.759 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.98 36.29 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -95.87 -179.72 4.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.194 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 3.0 m -89.03 -57.23 2.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.22 176.46 5.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -175.33 130.86 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.42 107.58 19.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.616 HG22 ' HA ' ' A' ' 129' ' ' VAL . 21.8 t -132.37 107.74 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.069 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.54 -50.8 2.97 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.567 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 175.87 -35.04 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.542 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 30.1 mt -107.71 148.69 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.923 0.392 . . . . 0.0 111.1 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.503 ' HB3' HD11 ' A' ' 177' ' ' LEU . 0.3 OUTLIER -72.56 149.66 43.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 165' ' ' GLN . . . . . 0.432 ' C ' HD21 ' A' ' 177' ' ' LEU . 0.8 OUTLIER -151.77 177.42 10.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 35.6 ttt-85 -129.78 132.55 46.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.745 ' CE2' HG11 ' A' ' 148' ' ' VAL . 53.0 t80 -83.99 113.13 20.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.08 140.12 29.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -78.77 -31.81 46.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -71.51 -58.32 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 1.5 t -71.52 -29.21 64.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.967 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 13.5 m 62.5 37.33 13.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -147.36 152.21 37.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -72.38 108.94 5.75 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -112.42 140.86 46.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 9.6 m -55.17 168.63 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.503 HD11 ' HB3' ' A' ' 164' ' ' MET . 5.5 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.822 0.344 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.6 mt -132.84 122.64 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 62.4 m -76.47 145.14 39.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 35.1 t -55.06 124.95 18.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -57.55 -29.51 64.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 159' ' ' LEU . 20.8 t -62.2 144.66 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.78 156.22 27.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 61.03 28.24 18.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 18.6 t -140.02 80.57 1.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.84 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -78.84 61.01 4.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.474 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -102.41 121.92 43.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.798 0.333 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -82.2 127.99 33.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.471 HD21 ' HA ' ' A' ' 149' ' ' CYS . 44.6 mt -94.55 45.07 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.96 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 31.8 t -97.01 -28.36 14.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -98.27 30.68 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.961 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 7.3 m -110.08 179.14 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.09 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 5.7 mtmm -83.46 -77.3 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -168.64 -42.09 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -57.04 -30.61 64.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.427 ' O ' HD22 ' A' ' 136' ' ' LEU . 32.6 m170 -105.64 31.35 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.18 -59.68 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -32.84 70.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.806 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' HIS . . . . . 0.404 ' HB2' HG12 ' A' ' 148' ' ' VAL . 35.6 m170 -74.55 -11.7 60.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.257 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt 61.36 41.71 12.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.946 0.403 . . . . 0.0 110.952 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.404 HG12 ' HB2' ' A' ' 146' ' ' HIS . 10.9 p -144.14 139.92 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.981 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' CYS . . . . . 0.471 ' HA ' HD21 ' A' ' 136' ' ' LEU . 20.9 p -72.71 -168.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -82.42 -33.44 28.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.073 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 2.5 mp -59.73 -72.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.105 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -56.65 -24.72 50.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.1 -29.92 61.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -131.37 36.12 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -100.48 179.87 4.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 7.7 p -109.45 -30.38 7.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 51.5 p -134.34 136.26 43.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.035 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -151.77 150.95 30.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.568 ' O ' HG13 ' A' ' 129' ' ' VAL . 0.1 OUTLIER -104.12 122.71 45.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.426 HG22 ' HA ' ' A' ' 129' ' ' VAL . 20.4 t -141.1 100.97 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 93.87 -42.77 2.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.501 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 165.43 -29.59 0.21 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.408 HG22 ' N ' ' A' ' 164' ' ' MET . 22.6 mt -107.48 154.22 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.931 0.395 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.408 ' N ' HG22 ' A' ' 163' ' ' ILE . 4.3 mmt -77.6 149.67 34.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -161.89 172.71 15.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.9 161.19 25.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.426 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 43.9 t80 -106.57 153.38 22.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.82 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 5.5 t -120.22 160.14 23.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -98.3 -32.87 11.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -84.58 -44.89 13.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -75.26 -32.06 60.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 12.5 p 58.75 40.13 23.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -154.0 141.32 19.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 1.8 m-85 -68.37 128.2 35.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -131.27 146.37 52.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 11.8 m -56.84 147.29 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.261 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.839 0.352 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 32.6 mt -100.09 152.25 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.17 154.26 21.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 17.5 t -59.44 136.5 57.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -73.93 -28.77 61.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.747 HG11 ' NE2' ' A' ' 152' ' ' HIS . 22.2 t -56.84 144.56 8.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.188 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.3 154.22 27.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 60.77 29.49 19.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 29.9 t -135.92 112.47 10.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -95.8 28.14 13.63 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.86 127.95 33.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.34 . . . . 0.0 111.152 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -96.8 133.63 41.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 38.7 mt -95.5 42.99 1.09 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.82 -30.6 11.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.923 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -98.09 29.19 3.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.031 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 16.8 m -113.1 164.96 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.0 mtmt -75.0 -69.26 0.48 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.024 0.44 . . . . 0.0 111.076 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -177.53 -38.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -52.17 -28.61 18.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -95.62 -22.35 17.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -96.82 33.3 1.9 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.967 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.92 -44.27 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.042 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -107.19 22.35 16.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.187 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.9 mttt 52.53 79.52 0.11 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.8 p -168.89 144.06 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.06 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.0 p -82.97 -176.48 6.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.969 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -75.47 -28.95 59.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.292 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 38.1 mm -61.76 -68.99 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.199 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.747 ' NE2' HG11 ' A' ' 129' ' ' VAL . 49.8 m80 -60.92 -19.04 60.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.37 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 47.8 t -55.16 -29.75 58.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 111.094 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -143.93 31.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.502 ' HB3' ' HA ' ' A' ' 152' ' ' HIS . . . -98.45 145.24 26.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -58.72 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.1 p -91.99 155.0 18.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -169.93 107.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.079 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.73 86.47 5.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.68 HG22 ' HA ' ' A' ' 129' ' ' VAL . 27.5 t -114.63 104.97 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 94.51 -40.5 2.71 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.585 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 162.14 -28.3 0.27 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 15.7 mt -111.64 150.38 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 111.009 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.52 ' HB3' HD11 ' A' ' 177' ' ' LEU . 10.0 mmt -76.33 138.0 40.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -145.39 176.43 9.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -129.35 131.01 46.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -83.94 101.88 12.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 4.5 t -84.42 123.68 30.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -60.42 -35.07 74.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -60.01 -65.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.798 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 36.1 m -65.8 -27.04 67.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.11 32.61 12.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -148.91 150.8 33.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.772 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -67.83 105.32 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -106.46 137.51 44.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 6.1 m -53.88 178.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.259 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.52 HD11 ' HB3' ' A' ' 164' ' ' MET . 11.5 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.834 0.35 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.671 HD12 ' HG2' ' A' ' 144' ' ' ARG . 32.7 mt -123.8 137.65 56.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.039 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 22.2 p -92.85 154.66 18.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 12.3 t -59.41 145.35 43.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.597 ' O ' HG13 ' A' ' 160' ' ' VAL . 11.4 pt20 -97.08 29.65 3.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 1.046 HG11 ' CE1' ' A' ' 152' ' ' HIS . 57.4 t -119.31 122.35 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.041 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -59.27 155.45 14.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.5 m120 62.32 29.04 17.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 23.1 t -131.38 -68.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 58.73 53.05 49.36 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.519 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -98.88 138.29 36.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.765 0.317 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -89.67 130.27 35.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.001 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.619 HD13 ' HA ' ' A' ' 144' ' ' ARG . 8.0 mt -102.4 34.16 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 79.3 p -94.26 -31.2 14.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -88.65 -20.19 25.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 136' ' ' LEU . 21.9 m -52.88 173.6 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.892 0.377 . . . . 0.0 111.332 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -74.88 -67.51 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.978 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -174.81 -40.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' TYR . . . . . 0.414 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 14.8 t80 -81.58 59.25 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.414 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 8.8 m170 -166.15 -46.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.784 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.671 ' HG2' HD12 ' A' ' 125' ' ' ILE . 7.0 ttm-85 -65.74 -52.12 53.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.832 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -30.8 68.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -82.76 -6.73 59.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.318 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.42 34.2 18.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.825 0.345 . . . . 0.0 111.073 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.5 p -146.23 137.66 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.021 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 21.7 p -73.05 -173.11 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.6 -29.77 56.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 39.3 mm -62.43 -69.27 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.195 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 1.046 ' CE1' HG11 ' A' ' 129' ' ' VAL . 94.0 m-70 -60.22 -20.25 57.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.309 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -30.17 62.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -132.25 37.55 3.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -107.54 173.89 6.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.656 ' O ' HD11 ' A' ' 177' ' ' LEU . 76.6 p -109.81 -32.18 7.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.52 126.27 51.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.008 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 165' ' ' GLN . . . -148.37 118.96 7.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.064 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.63 107.65 10.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 128' ' ' GLN . 24.7 t -135.19 126.06 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 58.47 33.39 71.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.461 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 69.93 27.51 73.01 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.558 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 27.7 mt -147.52 140.01 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.768 0.318 . . . . 0.0 111.113 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.54 136.55 40.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 165' ' ' GLN . . . . . 0.645 ' O ' ' HB3' ' A' ' 158' ' ' ALA . 4.8 pt20 -166.85 172.67 10.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -138.74 159.98 40.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.947 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -75.66 164.5 26.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 2.0 t -136.39 113.57 10.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -63.6 -34.62 78.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -73.92 -67.56 0.59 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 58.9 m -61.85 -26.1 67.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 20.5 t 64.76 32.96 10.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.825 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.58 157.06 37.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.81 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.9 138.64 52.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -136.49 140.42 43.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 15.7 m -54.69 158.59 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.364 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.656 HD11 ' O ' ' A' ' 156' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.825 0.345 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.455 HG21 ' HG3' ' A' ' 147' ' ' LYS . 30.4 mt -113.73 155.02 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.075 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 27.4 p -112.89 155.53 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 10.2 t -69.08 126.36 29.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -58.45 -27.64 64.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.671 HG11 ' CE1' ' A' ' 152' ' ' HIS . 30.4 t -57.54 118.16 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.054 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -54.08 -65.4 0.58 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -71.09 65.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 15.1 t -158.63 -66.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.917 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 58.96 28.28 63.37 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.319 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -72.87 168.24 19.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.937 0.399 . . . . 0.0 111.129 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.03 129.48 56.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.797 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.443 HD12 ' HB ' ' A' ' 125' ' ' ILE . 27.3 mt -96.56 40.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 91.9 p -96.64 -31.73 12.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -76.91 -31.67 56.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 19.6 m -64.56 179.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.279 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm -120.53 -78.34 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.94 -175.4 3.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 2.0 t80 69.09 -66.64 0.24 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -73.68 -29.36 62.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.44 37.42 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.938 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -117.05 -40.04 3.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.788 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -119.94 27.44 8.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.455 ' HG3' HG21 ' A' ' 125' ' ' ILE . 0.5 OUTLIER 57.63 93.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.084 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.0 p 179.29 146.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.997 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 16.9 p -93.47 178.04 5.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.744 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -69.64 -29.12 66.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.558 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 31.7 mm -62.44 -58.6 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.349 . . . . 0.0 111.435 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.671 ' CE1' HG11 ' A' ' 129' ' ' VAL . 52.4 m80 -78.55 -2.23 37.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.576 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 19.2 p -63.35 -36.46 83.78 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.955 0.407 . . . . 0.0 110.946 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.64 31.35 4.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -88.3 148.73 24.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.068 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 3.1 p -73.31 -31.0 63.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.149 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.2 158.15 44.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -165.83 129.82 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.23 99.96 12.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.823 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 129' ' ' VAL . 21.1 t -121.73 108.97 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.065 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 92.95 -47.97 2.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 169.77 -32.63 0.17 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.462 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 4.5 mt -106.67 139.81 26.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 3.7 mmt -60.85 157.24 15.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -165.94 179.96 5.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.26 142.39 45.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.432 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 66.1 t80 -91.93 106.24 18.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 10.8 t -72.95 154.48 40.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -93.35 -50.53 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.62 -32.16 71.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.99 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 33.7 m -95.74 -31.01 13.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 2.6 m 61.62 41.47 12.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -147.78 148.22 30.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.432 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 3.7 m-85 -70.83 101.28 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -89.48 130.76 35.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 11.4 p -50.87 140.31 5.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.344 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 13.1 tp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.005 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.849 0.357 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.57 HG21 ' HG2' ' A' ' 147' ' ' LYS . 29.7 mt -125.33 136.43 60.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 36.1 m -94.33 150.17 20.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 8.7 t -59.14 127.73 33.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -57.44 -32.85 67.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.953 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.729 HG21 ' CG ' ' A' ' 152' ' ' HIS . 43.2 t -55.18 115.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -46.67 -67.86 0.24 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.407 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.1 65.56 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 8.9 t -167.56 111.99 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.059 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -100.84 44.69 1.53 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.252 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -88.08 161.28 17.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 111.191 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -124.61 130.8 53.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.79 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.591 HD13 ' HA ' ' A' ' 144' ' ' ARG . 32.6 mt -97.55 38.33 1.29 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.7 t -98.08 -30.95 12.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.44 -30.82 29.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 20.5 m -59.15 176.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.133 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.68 -78.75 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -137.86 -178.52 5.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 16.0 t80 69.02 -66.51 0.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -87.06 55.36 3.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.591 ' HA ' HD13 ' A' ' 136' ' ' LEU . 3.5 tmm_? -156.53 -64.6 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.813 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.86 -31.6 71.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -81.62 -12.3 58.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.268 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.57 ' HG2' HG21 ' A' ' 125' ' ' ILE . 13.1 mttt 67.46 79.78 0.22 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.859 0.362 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.504 HG11 ' CE1' ' A' ' 167' ' ' PHE . 11.1 p 179.07 149.72 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 17.6 p -96.9 169.86 9.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.806 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.8 -24.87 66.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.741 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 23.0 mm -68.71 -65.89 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.694 0.283 . . . . 0.0 111.466 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.729 ' CG ' HG21 ' A' ' 129' ' ' VAL . 51.3 m80 -67.71 -12.25 60.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.638 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 53.5 p -57.79 -28.74 64.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.807 0.337 . . . . 0.0 110.973 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -147.4 34.52 0.87 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -86.37 170.92 11.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.97 -48.02 55.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 75.1 p -141.43 163.7 32.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -157.71 132.44 8.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.11 113.19 24.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.973 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 41.3 t -129.25 97.07 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.018 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 90.75 -48.47 3.05 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.529 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 175.63 -35.32 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 9.2 mt -101.21 131.73 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.738 0.304 . . . . 0.0 111.046 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.705 ' HB3' HD21 ' A' ' 177' ' ' LEU . 3.3 mtt -62.25 158.69 16.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 165' ' ' GLN . . . . . 0.447 ' CA ' HD23 ' A' ' 177' ' ' LEU . 0.8 OUTLIER -168.03 169.31 11.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 -117.35 -176.95 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.504 ' CE1' HG11 ' A' ' 148' ' ' VAL . 51.7 t80 -122.08 129.8 52.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.33 151.69 21.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -96.88 -42.73 7.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -84.04 -34.39 24.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.958 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.79 -27.45 23.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.028 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 23.6 m 64.17 170.93 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 62.09 159.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -74.3 135.0 42.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -131.44 134.82 46.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.8 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 21.3 t -56.88 145.94 6.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.705 HD21 ' HB3' ' A' ' 164' ' ' MET . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.816 0.341 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.599 HD12 ' HG3' ' A' ' 144' ' ' ARG . 25.4 mt -132.44 132.36 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.158 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 21.5 p -85.51 153.45 22.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 35.2 t -63.63 130.05 42.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.779 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -57.05 -29.98 63.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.976 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.833 HG11 ' CE1' ' A' ' 152' ' ' HIS . 26.1 t -59.55 122.13 8.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.082 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -57.96 -59.34 5.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.92 64.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 5.0 t -153.49 -67.03 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 63.44 30.03 76.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -84.21 -177.44 6.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.778 0.323 . . . . 0.0 111.133 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -130.32 142.65 50.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 27.2 mt -118.06 44.87 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.9 m -95.03 -30.79 13.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -79.07 -31.17 44.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 31.6 m -59.66 -179.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -128.28 -78.16 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.53 175.32 9.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' TYR . . . . . 0.413 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 1.2 t80 59.06 30.26 20.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 21.6 m-70 -165.91 -48.1 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.599 ' HG3' HD12 ' A' ' 125' ' ' ILE . 0.0 OUTLIER -68.64 -50.81 48.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -48.72 80.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -71.56 -13.79 61.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.314 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.544 ' HG2' HG21 ' A' ' 125' ' ' ILE . 10.9 mttm 61.99 78.87 0.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.893 0.378 . . . . 0.0 110.925 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.8 p -178.9 141.24 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 18.2 p -74.46 -166.07 0.4 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.53 -31.66 19.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.944 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 2.6 mp -60.05 -72.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.111 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.833 ' CE1' HG11 ' A' ' 129' ' ' VAL . 52.8 m80 -57.41 -23.16 47.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.16 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.22 -25.88 49.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.866 0.365 . . . . 0.0 111.003 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -147.72 30.9 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.757 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -84.28 -173.08 4.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.253 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.41 -54.13 3.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.2 p -136.08 121.03 18.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.181 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -101.97 -169.72 1.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.525 ' H ' HG13 ' A' ' 129' ' ' VAL . 0.4 OUTLIER -152.27 93.55 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.881 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.744 HG22 ' HA ' ' A' ' 129' ' ' VAL . 25.4 t -130.94 123.83 54.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.023 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 71.53 28.38 69.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.458 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 69.22 26.4 74.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.52 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 24.9 mt -148.8 136.57 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.836 0.351 . . . . 0.0 111.004 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.4 158.67 33.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 165' ' ' GLN . . . . . 0.468 ' NE2' ' HB3' ' A' ' 174' ' ' PHE . 9.6 pt20 -170.38 -177.81 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -148.22 136.92 21.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 168' ' ' CYS . 17.6 t80 -75.64 148.34 38.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 168' ' ' CYS . . . . . 0.443 ' N ' ' CD1' ' A' ' 167' ' ' PHE . 3.8 t -132.55 144.65 50.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -85.96 -36.32 19.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -74.86 -44.24 50.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 171' ' ' CYS . . . . . 0.439 ' HB3' ' CD2' ' A' ' 175' ' ' HIS . 10.9 m -85.52 -26.87 25.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 63.74 159.18 0.09 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.767 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 61.33 160.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.468 ' HB3' ' NE2' ' A' ' 165' ' ' GLN . 5.4 m-85 -61.95 149.76 39.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 175' ' ' HIS . . . . . 0.439 ' CD2' ' HB3' ' A' ' 171' ' ' CYS . 17.8 m-70 -148.14 124.74 11.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 11.4 p -54.89 152.48 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.271 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 38.5 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.767 0.317 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.692 ' O ' HD12 ' A' ' 136' ' ' LEU . 22.7 mt -132.75 117.29 29.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 22.0 m -72.56 158.74 35.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.009 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' CYS . . . . . 0.439 ' SG ' HG23 ' A' ' 129' ' ' VAL . 24.7 t -57.0 125.7 23.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.978 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -58.59 -26.17 63.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.716 HG21 ' CD2' ' A' ' 152' ' ' HIS . 46.9 t -55.99 136.27 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 0.0 110.979 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.21 -77.47 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.195 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -70.19 65.97 0.28 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 4.3 t -172.49 100.47 0.15 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -96.84 30.41 8.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.392 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.11 146.75 46.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 111.179 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -109.24 115.0 29.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 125' ' ' ILE . 16.1 mt -87.98 54.96 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.9 p -97.18 -29.95 13.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.35 39.03 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 6.1 m -106.3 173.34 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.75 -78.31 0.15 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.018 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -168.04 -42.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' TYR . . . . . 0.425 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 7.8 t80 -76.11 61.07 1.52 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.425 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 2.5 m170 -174.37 -41.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.715 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.59 ' CG ' HD12 ' A' ' 125' ' ' ILE . 9.6 ttp180 -68.46 -51.44 43.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.85 -31.25 64.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -86.08 -13.13 48.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.243 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.638 ' HG3' HG21 ' A' ' 125' ' ' ILE . 0.0 OUTLIER 61.81 55.55 2.61 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.892 0.377 . . . . 0.0 110.861 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.6 p -156.06 150.78 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 22.6 p -88.1 -170.66 3.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.001 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.22 -34.09 49.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.062 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 2.6 mp -59.65 -72.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.042 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.716 ' CD2' HG21 ' A' ' 129' ' ' VAL . 93.6 m-70 -57.18 -26.61 60.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.053 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.23 -30.23 66.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.926 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.73 35.99 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -95.53 -171.54 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.035 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 82.1 p -106.5 -35.92 6.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.1 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.87 147.68 48.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.094 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -157.21 140.78 15.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 159' ' ' LEU . 0.3 OUTLIER -96.93 106.97 19.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.23 124.78 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 63.77 38.19 95.8 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.515 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 64.68 26.61 71.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 164' ' ' MET . 31.4 mt -147.38 159.09 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 111.136 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.635 ' HB3' HD11 ' A' ' 177' ' ' LEU . 1.1 mmt -94.94 140.54 29.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.721 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -161.81 -178.01 6.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -140.35 139.02 35.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.418 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 42.3 t80 -79.79 127.01 31.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 4.6 p -114.4 132.1 56.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -64.13 -30.87 71.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.65 -75.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.81 -26.93 63.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.07 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.74 31.27 14.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -138.62 143.94 39.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 1.7 m-85 -68.9 96.89 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -103.33 144.49 31.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 5.5 m -51.74 176.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.278 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.635 HD11 ' HB3' ' A' ' 164' ' ' MET . 2.9 mt . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 120.934 0.397 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.579 HD12 ' HG2' ' A' ' 144' ' ' ARG . 17.8 mt -108.6 153.73 10.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.044 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.401 ' N ' HG22 ' A' ' 125' ' ' ILE . 1.3 m -114.53 153.52 29.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 44.4 t -67.97 125.46 26.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -59.05 -29.65 67.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.795 HG11 ' NE2' ' A' ' 152' ' ' HIS . 30.6 t -58.69 120.7 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.75 155.73 18.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 60.72 29.34 18.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 17.7 t -137.11 103.41 5.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -92.29 46.91 2.61 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -85.27 108.84 17.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.329 . . . . 0.0 111.122 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -75.96 127.73 33.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 46.0 mt -96.39 41.78 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 29.6 t -99.28 -34.66 10.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -77.68 -30.74 52.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' VAL . . . . . 0.509 HG21 ' O ' ' A' ' 143' ' ' HIS . 30.4 m -58.96 173.15 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -111.59 -77.19 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.47 179.0 6.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.773 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 9.8 t80 69.33 -66.0 0.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.509 ' O ' HG21 ' A' ' 139' ' ' VAL . 29.1 m80 -89.21 51.27 2.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.579 ' HG2' HD12 ' A' ' 125' ' ' ILE . 4.1 tmt_? -150.54 -56.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -71.11 -34.54 71.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.698 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -80.57 -14.1 58.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.2 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 7.2 mttm 64.6 80.49 0.23 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.775 0.321 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 148' ' ' VAL . 10.8 p -179.57 124.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.7 p -58.41 -166.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.802 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -88.75 -29.21 19.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.153 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 39.5 mm -61.58 -70.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.361 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.795 ' NE2' HG11 ' A' ' 129' ' ' VAL . 51.8 m80 -60.68 -24.32 65.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.301 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 6.0 t -55.89 -29.58 60.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.029 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.66 32.49 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -100.4 167.29 10.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 45.0 p -94.04 -27.89 16.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.03 150.11 50.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.16 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -166.57 143.45 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.21 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.07 111.71 24.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.441 HG22 ' HA ' ' A' ' 129' ' ' VAL . 17.2 t -131.63 102.18 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 93.11 -48.02 2.44 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 169.64 -32.6 0.17 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.412 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 3.6 mt -100.83 135.56 36.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.8 0.333 . . . . 0.0 111.07 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.597 ' HB3' HD11 ' A' ' 177' ' ' LEU . 0.6 OUTLIER -60.34 164.09 4.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.6 178.66 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 166' ' ' ARG . . . . . 0.57 ' HD2' HD23 ' A' ' 177' ' ' LEU . 0.2 OUTLIER -144.91 116.53 8.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.433 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 53.0 t80 -72.68 126.22 29.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.26 -178.36 3.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -101.73 -47.54 4.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -82.0 -48.5 11.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.81 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 91.7 m -59.96 -36.93 78.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 2.4 m 60.85 165.95 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 62.18 150.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 4.3 m-85 -73.46 105.45 4.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -108.19 132.91 53.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.012 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 16.5 m -52.66 -178.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.243 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.597 HD11 ' HB3' ' A' ' 164' ' ' MET . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.049 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.788 0.328 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 126' ' ' CYS . 18.9 mm -101.81 156.35 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.42 ' N ' HG22 ' A' ' 125' ' ' ILE . 5.0 p -125.04 151.07 46.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 10.1 t -69.37 124.4 23.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -59.05 -25.96 64.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.798 HG11 ' CE1' ' A' ' 152' ' ' HIS . 39.2 t -57.36 124.43 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.133 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -58.36 -67.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.072 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -70.37 65.65 0.29 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.982 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 9.8 t -155.84 -66.87 0.12 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 59.56 28.26 64.87 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.485 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -73.47 173.62 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -119.74 139.98 51.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 55.7 mt -115.51 48.32 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 27.7 t -97.49 -28.92 13.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.0 34.78 1.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 4.1 m -112.16 179.38 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.196 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -95.09 -69.49 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -174.18 -38.69 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.006 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -50.49 -27.54 6.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.258 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -107.9 -29.79 8.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -53.35 58.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -71.49 -44.08 65.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.99 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -59.11 -21.72 59.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 65.71 71.28 0.43 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.997 0.427 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.546 HG11 ' CE1' ' A' ' 167' ' ' PHE . 8.7 p 179.17 155.26 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' CYS . . . . . 0.432 ' N ' HG22 ' A' ' 148' ' ' VAL . 20.8 p -89.53 179.32 6.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.841 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -71.11 -25.9 62.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.433 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 32.4 mm -66.6 -69.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.468 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.798 ' CE1' HG11 ' A' ' 129' ' ' VAL . 49.6 m80 -62.71 -28.54 70.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.202 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 13.2 t -58.52 -31.52 67.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -125.67 32.97 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -101.53 170.9 7.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.62 -30.84 18.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.073 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 3.5 p -141.01 167.13 22.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.095 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -161.84 177.83 9.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.02 99.68 4.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.586 HG21 ' CD2' ' A' ' 174' ' ' PHE . 12.7 t -131.13 125.58 57.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 68.14 34.44 81.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.519 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 65.17 28.1 73.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.518 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 164' ' ' MET . 33.7 mt -146.39 158.75 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.72 ' HB3' HD13 ' A' ' 177' ' ' LEU . 0.2 OUTLIER -89.15 154.86 19.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.756 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 165' ' ' GLN . . . . . 0.669 ' HA ' HD12 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -168.28 -179.09 3.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.905 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -149.71 131.5 15.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.546 ' CE1' HG11 ' A' ' 148' ' ' VAL . 3.0 t80 -64.53 112.54 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.936 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.45 -9.81 59.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.334 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 65.35 -75.85 0.05 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -54.82 40.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 24.1 m -65.76 -25.34 67.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.023 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.64 165.54 0.18 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.27 144.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.586 ' CD2' HG21 ' A' ' 160' ' ' VAL . 16.4 m-85 -67.21 124.13 22.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -110.11 127.48 54.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 11.2 p -58.69 143.55 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.175 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.72 HD13 ' HB3' ' A' ' 164' ' ' MET . 1.8 mp . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.885 0.374 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.747 HG21 ' HG2' ' A' ' 147' ' ' LYS . 28.6 mt -135.86 116.79 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.182 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 35.1 m -63.95 157.91 23.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' CYS . . . . . 0.483 ' SG ' HG23 ' A' ' 129' ' ' VAL . 24.8 t -58.05 146.9 31.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -96.6 34.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.851 HG11 ' NE2' ' A' ' 152' ' ' HIS . 46.9 t -117.74 134.68 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -58.13 139.68 54.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 63.44 30.52 15.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.031 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 9.0 t -146.0 82.51 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.934 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -92.94 46.08 2.48 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -75.71 118.11 18.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.34 . . . . 0.0 111.167 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -71.46 127.13 31.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.78 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 125' ' ' ILE . 84.5 mt -92.69 47.9 1.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.54 -22.32 17.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.017 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -95.46 35.06 1.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.066 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 7.3 m -127.86 170.79 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.084 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -115.36 -38.49 3.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.54 -178.08 0.72 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' TYR . . . . . 0.408 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 3.0 t80 58.81 27.02 15.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.011 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 17.4 m170 -161.86 -49.24 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.494 ' O ' HD12 ' A' ' 125' ' ' ILE . 1.6 tmm_? -75.41 -37.86 60.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -69.39 -32.72 71.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -96.55 -11.15 25.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.747 ' HG2' HG21 ' A' ' 125' ' ' ILE . 30.8 mttt 65.68 78.37 0.27 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.94 0.4 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.529 HG11 ' CE2' ' A' ' 167' ' ' PHE . 10.6 p -174.8 135.65 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 22.7 p -73.91 -169.51 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.87 -28.88 32.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.247 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 37.4 mm -63.79 -69.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.226 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.851 ' NE2' HG11 ' A' ' 129' ' ' VAL . 50.6 m80 -60.03 -27.82 67.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.128 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.1 t -58.63 -30.29 67.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -131.07 36.74 3.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.813 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -99.27 -174.89 2.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.74 -34.45 7.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.2 p -139.81 105.65 5.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -108.89 133.01 53.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.644 ' O ' HG13 ' A' ' 129' ' ' VAL . 0.2 OUTLIER -85.85 123.98 31.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 19.1 t -152.35 111.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 74.27 32.12 58.51 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 77.42 2.71 80.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.955 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 164' ' ' MET . 5.1 mt -128.73 158.53 41.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.805 0.336 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.485 ' N ' HG22 ' A' ' 163' ' ' ILE . 7.1 mtt -92.4 168.39 11.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.17 178.51 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -136.11 125.46 24.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.529 ' CE2' HG11 ' A' ' 148' ' ' VAL . 42.9 t80 -62.67 116.89 5.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.3 131.72 38.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.811 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -83.07 -30.38 28.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -83.1 -54.09 5.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -77.62 -20.41 53.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.195 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 15.0 m 65.87 163.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 110.922 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 49.2 mtm180 62.0 166.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -69.23 155.64 40.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -144.28 118.52 9.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.009 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 177' ' ' LEU . 11.9 p -54.46 154.96 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.263 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.422 ' N ' HG22 ' A' ' 176' ' ' VAL . 30.5 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.839 0.352 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.75 HD12 ' HG2' ' A' ' 144' ' ' ARG . 25.2 mt -103.44 155.75 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.424 ' N ' HG22 ' A' ' 125' ' ' ILE . 10.3 m -108.17 156.68 19.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' CYS . . . . . 0.431 ' SG ' HG23 ' A' ' 129' ' ' VAL . 21.5 t -63.73 125.63 24.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -57.51 -25.4 59.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.785 ' HA ' HG22 ' A' ' 160' ' ' VAL . 42.3 t -58.76 135.57 23.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -76.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -69.41 67.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.898 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 4.7 t -171.13 103.98 0.22 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -97.58 27.79 17.17 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.411 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.35 141.34 57.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.774 0.321 . . . . 0.0 111.182 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.6 114.7 29.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.5 mt -85.14 57.19 4.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 8.4 t -110.43 -33.3 6.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.33 -31.54 64.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.838 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 31.0 m -63.88 176.72 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -101.46 -76.95 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -148.06 -169.8 3.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 9.1 t80 69.08 -66.89 0.23 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -66.91 -33.01 74.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.75 ' HG2' HD12 ' A' ' 125' ' ' ILE . 13.4 ttm-85 -71.41 -49.32 43.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -59.77 -36.21 76.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -75.77 -17.1 60.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.184 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 36.7 mttp 66.03 44.03 2.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.898 0.38 . . . . 0.0 110.799 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.0 p -147.78 141.79 19.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.016 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 21.5 p -79.24 -176.31 5.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.1 -28.25 61.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.199 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 35.3 mm -64.12 -70.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.318 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.694 ' CG ' HG21 ' A' ' 129' ' ' VAL . 50.8 m80 -62.22 -17.99 59.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.31 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.27 -55.84 21.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.965 0.412 . . . . 0.0 111.132 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.84 37.58 3.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.043 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -96.55 175.44 6.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.226 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 6.4 m -107.86 -29.15 9.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 1.8 p -125.35 126.28 44.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -141.75 125.32 16.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.28 103.09 13.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.785 HG22 ' HA ' ' A' ' 129' ' ' VAL . 15.2 t -138.22 136.14 44.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 58.96 29.09 64.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.523 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 68.76 22.13 75.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.559 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 19.2 mt -150.77 133.36 6.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.787 0.327 . . . . 0.0 111.012 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 1.3 mtt -65.8 145.71 55.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -162.51 178.87 8.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' ARG . . . . . 0.4 ' HB3' ' NH1' ' A' ' 166' ' ' ARG . 6.9 mtp-105 -125.94 165.35 18.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.807 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -119.6 111.64 18.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 9.0 t -99.8 129.17 45.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -63.4 -33.48 75.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -72.79 -43.07 63.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 86.2 m -68.73 -29.88 68.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.63 34.79 17.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.72 158.25 3.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -75.09 134.36 41.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -135.15 139.76 44.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 5.4 m -50.76 178.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.454 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 8.3 mt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.96 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.848 0.356 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 126' ' ' CYS . 30.6 mt -137.13 154.49 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.404 ' N ' HG22 ' A' ' 125' ' ' ILE . 1.8 m -106.09 162.09 13.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' CYS . . . . . 0.441 ' SG ' HG23 ' A' ' 129' ' ' VAL . 14.8 t -60.01 144.23 49.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -82.1 -24.88 34.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.712 HG21 ' CG ' ' A' ' 152' ' ' HIS . 39.8 t -54.33 133.68 17.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.17 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -54.85 -75.12 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.201 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -69.79 65.96 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 8.6 t -169.16 127.62 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.0 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -123.07 42.39 1.61 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.356 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -83.17 172.31 12.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 111.174 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -119.01 166.0 13.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.2 mt -138.26 32.29 2.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 26.3 p -87.48 -31.48 19.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -74.42 -30.86 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 30.7 m -70.09 176.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.164 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -115.17 -77.83 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -132.68 171.97 13.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 1.2 t80 60.21 33.05 21.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -164.17 -44.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -82.9 -53.14 6.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.26 -31.82 71.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -85.36 -13.33 49.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.298 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.92 80.72 0.22 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.861 0.362 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 9.2 p -179.84 130.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 30.0 p -67.82 -172.13 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.93 8.32 18.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.857 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 38.1 mm -104.11 -67.08 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.712 ' CG ' HG21 ' A' ' 129' ' ' VAL . 49.3 m80 -62.3 -21.24 65.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.38 -27.83 64.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.014 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -139.14 31.54 2.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.813 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -90.82 -173.9 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -100.65 -41.9 6.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.219 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 67.5 p -131.42 133.25 45.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -134.26 116.64 15.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.93 102.76 4.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.002 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 4.4 t -134.45 115.9 20.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 69.06 36.04 79.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.473 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 69.95 25.59 75.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.561 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.484 HG22 ' N ' ' A' ' 164' ' ' MET . 22.0 mt -150.82 158.83 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 0.0 111.04 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.484 ' N ' HG22 ' A' ' 163' ' ' ILE . 12.3 mtt -99.35 147.87 24.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 165' ' ' GLN . . . . . 0.424 ' HG3' ' CD1' ' A' ' 174' ' ' PHE . 0.1 OUTLIER -149.68 -178.79 6.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.975 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 35.5 ttt-85 -138.62 124.67 20.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -66.93 112.58 4.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.9 151.63 23.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.98 -47.02 21.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -69.17 -41.78 76.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 15.5 m -72.48 -30.25 64.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 69.1 m 61.9 30.12 18.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -177.19 161.06 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 174' ' ' PHE . . . . . 0.424 ' CD1' ' HG3' ' A' ' 165' ' ' GLN . 54.6 m-85 -60.11 156.77 14.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -164.03 41.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 176' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 177' ' ' LEU . 22.0 t 61.0 155.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.426 ' N ' HG12 ' A' ' 176' ' ' VAL . 92.7 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.792 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.941 0.4 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.639 ' O ' HD12 ' A' ' 136' ' ' LEU . 30.4 mt -142.84 99.27 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.092 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.07 158.99 6.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' CYS . . . . . 0.433 ' SG ' HG23 ' A' ' 129' ' ' VAL . 8.8 t -58.66 145.86 38.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.816 ' O ' HG13 ' A' ' 160' ' ' VAL . 16.7 pt20 -96.73 24.88 5.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.058 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.549 ' HA ' HG22 ' A' ' 160' ' ' VAL . 24.6 t -109.23 148.26 13.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -72.58 145.6 47.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.038 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 62.39 30.88 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 16.8 t -144.78 105.82 4.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.886 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -100.06 34.15 5.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.388 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.18 141.55 53.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.843 0.354 . . . . 0.0 111.063 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -104.37 119.66 39.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 125' ' ' ILE . 33.7 mt -99.53 58.28 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 35.4 t -106.48 -45.41 4.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -71.14 -27.9 63.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 25.7 m -56.39 179.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.19 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -96.12 -75.8 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.985 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -157.95 -43.62 0.06 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -47.7 -42.77 25.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.297 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.536 ' O ' HD22 ' A' ' 136' ' ' LEU . 32.5 m170 -106.09 40.23 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.437 ' HA ' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -142.87 -48.86 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -63.11 -31.9 73.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' HIS . . . . . 0.448 ' HB2' HG12 ' A' ' 148' ' ' VAL . 38.1 m170 -83.84 -3.19 57.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.386 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.622 ' HG3' HG21 ' A' ' 125' ' ' ILE . 0.4 OUTLIER 61.2 28.09 17.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.718 0.294 . . . . 0.0 111.126 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.448 HG12 ' HB2' ' A' ' 146' ' ' HIS . 12.3 p -128.38 142.6 43.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.2 p -83.7 -171.48 3.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -75.45 -33.45 60.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.043 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.483 ' O ' ' HB2' ' A' ' 155' ' ' ALA . 50.2 mm -61.94 -42.84 96.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.277 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -95.46 26.53 3.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.188 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 34.1 t -104.71 -31.56 9.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.727 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.0 29.37 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 155' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 151' ' ' ILE . . . -91.96 159.25 15.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.072 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.705 ' O ' HG23 ' A' ' 157' ' ' THR . 31.3 p -97.26 24.15 6.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.296 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 156' ' ' THR . 0.2 OUTLIER -179.06 135.49 0.13 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.042 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -150.97 135.32 16.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.405 ' O ' HG13 ' A' ' 129' ' ' VAL . 0.3 OUTLIER -105.0 100.77 10.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.995 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.816 HG13 ' O ' ' A' ' 128' ' ' GLN . 39.0 t -127.64 132.33 69.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.986 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 62.63 28.39 71.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.506 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 72.12 31.09 64.39 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.535 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 164' ' ' MET . 25.4 mt -147.87 158.94 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.486 ' N ' HG22 ' A' ' 163' ' ' ILE . 6.3 mmt -93.46 133.89 36.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.21 -178.75 6.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.057 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -146.31 136.09 23.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.801 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -84.6 143.32 29.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.62 163.71 24.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -97.58 -53.67 3.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -63.01 -40.92 99.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 56.1 m -84.25 -31.15 25.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 11.8 t 61.1 167.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 60.73 158.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.76 131.31 44.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -122.84 131.52 53.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.828 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 14.1 m -49.59 164.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.534 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.831 0.348 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.48 HG21 ' HG2' ' A' ' 147' ' ' LYS . 20.0 mt -100.89 156.74 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.074 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.426 ' N ' HG22 ' A' ' 125' ' ' ILE . 8.0 p -109.22 159.54 16.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 17.3 t -65.06 139.53 58.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -75.98 -29.97 58.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.581 HG13 ' O ' ' A' ' 159' ' ' LEU . 24.2 t -59.24 141.97 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.134 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.93 156.33 37.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.825 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 61.72 25.71 15.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 12.8 t -137.67 104.12 5.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.866 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -96.64 30.79 8.29 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.449 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.31 132.27 49.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 111.142 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -91.22 120.52 32.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 18.7 mt -87.98 54.3 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.795 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 87.8 p -107.3 -31.82 8.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.92 -33.1 68.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.963 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 10.3 m -61.6 170.08 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -111.17 -37.92 5.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.054 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.9 -174.84 0.69 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 2.8 t80 68.55 -67.51 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.956 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -64.92 -30.33 71.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -27.1 22.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.068 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -45.25 83.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -95.93 15.23 21.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.489 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.48 ' HG2' HG21 ' A' ' 125' ' ' ILE . 9.0 mtmt 50.2 86.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.908 0.385 . . . . 0.0 111.192 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.2 p -178.63 136.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.046 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 20.8 p -72.24 -171.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.721 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.62 -27.95 31.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.228 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 37.0 mm -62.29 -70.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.223 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -59.85 -25.0 64.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.18 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 14.4 t -56.21 -44.89 79.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.059 0.457 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -118.79 36.84 4.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.648 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -100.12 -179.91 4.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.057 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.72 -48.16 4.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 10.4 p -120.29 139.29 52.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.236 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -142.59 148.43 37.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.581 ' O ' HG13 ' A' ' 129' ' ' VAL . 0.2 OUTLIER -108.62 109.21 20.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 17.7 t -129.3 100.06 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.161 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 93.77 -45.38 2.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.467 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 165.39 -30.17 0.21 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.416 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 3.9 mt -99.1 135.25 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.361 . . . . 0.0 111.026 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.714 ' HB3' HD21 ' A' ' 177' ' ' LEU . 0.1 OUTLIER -65.14 146.32 55.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.955 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -154.97 177.12 11.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.94 128.6 30.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.79 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.433 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 61.4 t80 -75.85 128.18 34.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -87.13 155.45 20.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -98.56 -46.29 5.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -65.74 -55.81 15.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 59.0 m -74.01 -30.64 62.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.08 69.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.06 149.2 1.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 2.2 m-85 -73.6 147.33 43.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -161.09 137.83 8.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 15.7 m -48.81 146.93 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.152 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.714 HD21 ' HB3' ' A' ' 164' ' ' MET . 3.4 pp -95.98 38.61 1.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -81.66 -30.25 32.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.651 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.43 -20.85 12.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.005 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -51.73 159.28 0.82 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.107 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.966 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.874 0.368 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 27.7 mt -112.34 123.25 67.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.46 146.92 29.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 35.3 t -57.24 136.38 56.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.978 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -58.19 -35.74 72.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.949 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.848 HG21 ' CG ' ' A' ' 152' ' ' HIS . 23.0 t -59.08 124.66 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -64.69 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.052 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -70.04 65.83 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 22.4 t -159.78 -66.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 59.39 33.41 75.95 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.48 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.21 150.95 31.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 0.0 111.171 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -94.2 137.2 33.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.804 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 60.7 mt -112.17 37.76 2.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 42.7 t -95.26 -25.18 16.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.008 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.39 38.31 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.979 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 8.8 m -127.42 170.43 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -98.12 -79.73 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.998 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -138.65 -179.11 5.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 69.41 -65.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -87.42 52.89 2.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -152.19 -61.79 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.727 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -34.29 76.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.621 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 36.8 m170 -78.96 -13.98 59.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.23 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.85 81.39 0.21 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.932 0.396 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.4 p -178.91 133.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 29.4 p -71.57 -172.59 0.8 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -84.89 7.97 19.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.779 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 40.5 mm -104.41 -68.45 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.713 0.292 . . . . 0.0 111.067 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.848 ' CG ' HG21 ' A' ' 129' ' ' VAL . 48.8 m80 -62.78 -24.65 67.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.079 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 24.8 t -56.81 -30.0 63.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.99 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -139.21 35.94 2.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -95.78 -173.78 2.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.063 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.38 -35.28 13.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 1.1 p -140.13 160.69 39.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.165 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.427 ' HB1' HG22 ' A' ' 129' ' ' VAL . . . -161.69 125.58 3.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.96 100.57 11.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.516 HG22 ' HA ' ' A' ' 129' ' ' VAL . 34.3 t -128.91 132.8 67.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.078 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 58.15 37.23 85.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.521 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 63.4 24.51 67.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.539 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 29.8 mt -148.54 140.69 18.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.838 0.351 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.543 ' HB3' HD11 ' A' ' 177' ' ' LEU . 6.5 mmt -80.62 123.71 28.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -140.95 179.16 6.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.796 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -125.58 158.51 34.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.421 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 53.9 t80 -113.11 141.6 46.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' CYS . . . . . 0.402 ' O ' ' CE2' ' A' ' 167' ' ' PHE . 0.5 OUTLIER -113.72 174.9 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -104.37 -31.42 9.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -72.81 -54.6 8.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 28.0 p -86.98 -30.38 21.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 11.8 p 59.09 36.99 24.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -125.74 136.7 53.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 3.2 m-85 -71.38 79.1 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.944 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -83.87 143.37 29.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 6.0 m -51.79 179.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.416 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 164' ' ' MET . 2.4 mt -96.77 30.6 2.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.053 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -96.64 -30.92 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.81 -41.33 14.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -70.52 104.73 2.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.876 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.769 0.318 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.837 HD12 ' HG3' ' A' ' 144' ' ' ARG . 25.0 mt -125.18 155.73 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.432 ' N ' HG22 ' A' ' 125' ' ' ILE . 8.8 t -114.72 160.23 19.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.008 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.52 126.63 29.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -59.65 -30.65 68.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.415 HG21 ' CG ' ' A' ' 152' ' ' HIS . 32.2 t -59.34 148.03 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -90.97 158.95 16.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.866 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 17.3 m120 60.68 25.41 15.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 42.0 t -118.9 -68.57 0.91 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.856 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 66.41 42.92 93.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.483 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.517 ' HB3' ' HB3' ' A' ' 149' ' ' CYS . . . -87.2 127.12 35.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -72.25 149.95 44.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 44.1 mt -128.6 48.01 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.5 m -103.43 -30.98 10.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -89.04 -22.4 22.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.554 HG12 ' OE2' ' A' ' 150' ' ' GLU . 29.9 m -53.26 168.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.373 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -75.44 -78.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -167.63 -42.1 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.088 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -55.93 -33.53 64.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.974 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -99.75 34.45 2.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.837 ' HG3' HD12 ' A' ' 125' ' ' ILE . 2.2 tpp85 -124.58 -63.18 1.2 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -32.57 70.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -75.34 -13.27 60.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.316 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.418 ' HG2' HG21 ' A' ' 125' ' ' ILE . 12.1 mttt 61.49 64.41 1.06 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.883 0.373 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.7 p -164.94 133.82 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.0 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' CYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 134' ' ' ALA . 20.0 p -67.56 -167.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.791 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.554 ' OE2' HG12 ' A' ' 139' ' ' VAL . 1.6 mp0 -88.23 -27.96 21.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.237 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 41.7 mm -61.11 -68.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.263 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.415 ' CG ' HG21 ' A' ' 129' ' ' VAL . 52.1 m80 -61.59 -18.22 58.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.469 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 5.3 p -55.52 -31.1 61.8 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.822 0.344 . . . . 0.0 111.094 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -138.1 39.34 2.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -100.93 -176.09 3.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.071 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 6.1 p -112.47 -44.21 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.9 p -112.34 131.81 55.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.109 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 165' ' ' GLN . . . -151.17 131.39 13.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.498 HD13 ' N ' ' A' ' 160' ' ' VAL . 0.2 OUTLIER -92.97 121.32 34.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.498 ' N ' HD13 ' A' ' 159' ' ' LEU . 10.7 t -139.44 91.4 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 94.63 -46.61 2.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 173.93 -34.62 0.11 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.412 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 23.0 mt -99.73 135.86 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.343 . . . . 0.0 111.089 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.18 164.01 7.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' GLN . . . . . 0.437 ' O ' ' HB3' ' A' ' 158' ' ' ALA . 4.3 pt20 -177.56 176.76 1.23 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.809 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.46 144.41 28.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -71.37 157.73 37.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 73.9 m -127.57 135.26 50.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -72.82 -30.46 64.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.006 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -81.8 -69.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 1.3 t -59.06 -28.02 66.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.012 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 4.2 m 61.49 31.57 18.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.45 160.91 40.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.811 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -80.91 117.71 21.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.787 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -109.33 144.63 37.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 21.2 t -57.8 146.36 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 6.0 tp -75.12 74.25 2.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.819 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -112.11 -36.91 5.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.956 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.31 42.64 2.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -125.21 35.04 4.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.951 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.891 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.833 0.349 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 27.8 mt -127.39 138.87 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 75.9 m -93.16 155.34 17.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.003 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 8.6 t -60.79 129.38 41.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -67.82 -28.66 67.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 159' ' ' LEU . 21.9 t -58.49 141.95 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.175 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -75.47 153.46 37.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 62.93 27.37 15.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 12.2 t -140.14 83.39 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.914 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -83.42 57.55 5.06 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.444 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -96.8 144.23 26.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 111.174 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.01 127.72 46.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.458 HD22 ' O ' ' A' ' 143' ' ' HIS . 35.9 mt -91.49 50.47 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.7 m -106.67 -34.19 7.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.841 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -77.36 -28.55 52.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 29.5 m -57.31 173.13 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.204 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -74.07 0.16 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.71 -41.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -59.26 -30.89 68.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.458 ' O ' HD22 ' A' ' 136' ' ' LEU . 10.7 m170 -98.82 37.62 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -130.4 -64.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -31.42 69.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -69.96 -15.51 63.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.353 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? 65.66 48.67 1.9 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.97 0.414 . . . . 0.0 110.909 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.3 p -156.11 140.54 8.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.978 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.2 p -82.56 -168.84 2.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.836 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -79.2 -33.64 43.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.207 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.723 ' O ' ' HB2' ' A' ' 155' ' ' ALA . 49.3 mm -61.36 -43.67 97.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.385 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.492 ' CG ' HG21 ' A' ' 129' ' ' VAL . 47.7 m80 -93.95 20.8 7.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.301 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 20.4 t -92.42 -31.45 15.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.596 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.49 30.16 0.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.803 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' A' ' 151' ' ' ILE . . . -76.42 168.56 19.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 4.6 p -73.09 -30.38 63.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.064 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -155.98 161.67 40.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.184 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -150.53 157.03 42.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.641 ' O ' HG13 ' A' ' 129' ' ' VAL . 0.2 OUTLIER -116.46 114.69 24.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.005 -179.88 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' A' ' 129' ' ' VAL . 11.2 t -142.76 132.97 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.194 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 56.15 31.81 59.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.631 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 67.26 28.02 73.61 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.545 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 28.2 mt -146.18 137.9 19.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.23 143.85 50.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -167.79 179.28 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -141.01 162.41 35.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -99.8 138.53 36.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.73 148.2 30.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -87.99 -30.73 19.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.97 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -84.62 -32.36 23.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.971 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 13.6 m -86.34 -29.74 22.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 66.5 m 62.15 29.68 17.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -154.21 157.53 38.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.816 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -71.22 136.46 48.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.05 135.53 50.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.756 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 4.8 m -49.17 174.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.442 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 3.0 tp -95.35 40.56 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.01 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -109.78 -31.39 7.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.12 -42.86 11.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.805 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -62.88 152.99 34.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.803 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.544 ' HB2' ' OG ' ' A' ' 137' ' ' SER . . . . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.835 0.35 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.596 ' O ' HD12 ' A' ' 136' ' ' LEU . 4.8 mt -121.62 94.09 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.005 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.22 157.19 11.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.969 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 26.4 t -58.24 133.32 55.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -63.88 -29.88 71.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.954 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.698 HG11 ' NE2' ' A' ' 152' ' ' HIS . 31.8 t -61.54 145.65 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.075 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.32 154.18 35.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 22.0 m120 59.89 30.73 20.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 4.3 t -138.55 103.57 4.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.793 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -96.17 38.21 3.18 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.537 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.82 114.85 7.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 0.0 111.088 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.78 124.25 26.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 125' ' ' ILE . 39.0 mt -107.72 45.11 1.02 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.544 ' OG ' ' HB2' ' A' ' 124' ' ' ALA . 0.8 OUTLIER -92.87 -40.73 10.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -107.22 41.36 1.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 5.1 m -100.28 -179.96 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -82.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 t0 178.39 -43.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -56.77 -29.49 62.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.069 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -90.95 -28.74 17.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.568 ' HG2' HD12 ' A' ' 125' ' ' ILE . 2.1 tmt_? -69.53 -34.34 74.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.003 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.29 -30.47 48.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.996 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 172' ' ' SER . 6.0 m80 -82.94 -10.79 58.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.37 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 14.9 mttt 63.17 47.67 4.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.891 0.376 . . . . 0.0 110.761 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.484 HG22 ' N ' ' A' ' 149' ' ' CYS . 12.3 p -150.63 159.0 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.015 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' CYS . . . . . 0.484 ' N ' HG22 ' A' ' 148' ' ' VAL . 20.5 p -90.61 -169.77 2.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.951 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -80.57 -30.89 36.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.02 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 41.7 mm -60.58 -69.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.698 ' NE2' HG11 ' A' ' 129' ' ' VAL . 49.9 m80 -59.7 -22.73 62.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.75 -37.91 66.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.923 0.392 . . . . 0.0 111.074 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.64 -21.42 11.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.161 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.643 ' HB3' ' HA ' ' A' ' 152' ' ' HIS . . . -53.28 163.51 0.57 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.801 0.334 . . . . 0.0 111.256 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.443 HG22 ' HE ' ' A' ' 166' ' ' ARG . 0.2 OUTLIER -96.45 -55.17 3.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 1.4 p -94.68 132.26 39.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -146.98 128.6 15.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.51 88.34 7.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.652 HG22 ' HA ' ' A' ' 129' ' ' VAL . 27.2 t -115.14 114.87 47.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.063 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 89.89 -50.05 3.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.602 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 171.86 -33.34 0.14 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 22.0 mt -110.99 153.6 12.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.731 0.3 . . . . 0.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.38 144.39 49.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.807 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' GLN . . . . . 0.401 ' HB3' ' HA ' ' A' ' 176' ' ' VAL . 1.9 pt20 -151.9 176.6 11.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.04 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 166' ' ' ARG . . . . . 0.443 ' HE ' HG22 ' A' ' 156' ' ' THR . 8.4 mtt180 -120.0 168.04 11.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.77 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -125.37 83.79 2.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.7 133.67 54.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -70.11 -42.97 71.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -65.83 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 91.4 m -63.34 -36.24 83.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' SER . . . . . 0.578 ' HB3' ' CE1' ' A' ' 146' ' ' HIS . 8.1 m 59.92 70.03 0.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -176.54 133.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -63.4 109.28 1.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -117.84 136.63 53.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.022 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.401 ' HA ' ' HB3' ' A' ' 165' ' ' GLN . 14.7 m -53.86 178.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.386 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 10.7 mt -97.42 28.48 3.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -99.83 31.57 3.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.751 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -164.86 -43.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.832 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 166' ' ' ARG . 32.7 m-85 -59.21 105.2 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.976 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.796 0.332 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.1 mm -101.33 152.48 5.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -121.13 147.74 45.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 16.3 t -57.12 140.54 49.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.767 ' O ' HG13 ' A' ' 160' ' ' VAL . 28.1 pt20 -94.64 40.94 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.601 HG22 HG22 ' A' ' 160' ' ' VAL . 31.1 t -128.63 130.59 68.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.64 150.75 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 35.1 m120 62.43 25.61 15.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 8.8 t -144.95 97.4 3.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.949 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -96.5 29.16 10.74 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.484 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.5 127.22 30.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 111.21 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -89.58 122.76 33.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 76.2 mt -84.9 57.23 4.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.3 m -107.63 -24.46 11.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.97 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -96.69 32.0 2.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.029 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 18.9 m -118.79 170.06 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.117 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.47 -39.52 3.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -174.44 -177.77 1.28 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.016 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' TYR . . . . . 0.419 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 0.9 OUTLIER 58.54 25.39 13.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.037 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.419 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 47.2 m-70 -161.8 -45.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 110.752 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -62.07 -32.81 73.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.25 -41.31 11.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -71.62 -22.28 61.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 1.5 mttp 66.24 75.66 0.33 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.5 p -179.4 134.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.989 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.5 p -73.14 -172.34 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.778 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -77.54 -31.24 53.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.238 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 43.6 mm -63.09 -42.64 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.419 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -96.4 33.72 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.992 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 41.1 t -110.18 -32.7 6.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.754 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -131.67 32.17 4.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -106.35 175.13 5.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.46 -34.94 6.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.34 129.27 53.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 165' ' ' GLN . . . -162.31 123.17 2.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.564 ' O ' HG13 ' A' ' 129' ' ' VAL . 0.2 OUTLIER -88.37 106.64 18.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.767 HG13 ' O ' ' A' ' 128' ' ' GLN . 24.2 t -116.33 97.49 5.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.234 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.42 -46.22 2.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.537 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 172.03 -31.62 0.12 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.603 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 4.8 mt -94.15 139.29 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.944 0.402 . . . . 0.0 111.042 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.646 ' HB3' HD11 ' A' ' 177' ' ' LEU . 7.6 mmt -69.94 117.99 12.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.95 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' GLN . . . . . 0.531 ' O ' ' HB3' ' A' ' 158' ' ' ALA . 0.0 OUTLIER -147.12 179.79 7.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -136.97 151.24 48.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -71.16 122.85 20.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 2.7 t -88.96 121.85 31.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -67.57 -38.44 84.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -65.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 30.9 t -58.57 -23.41 58.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 16.7 m 65.07 32.5 10.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.809 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 41.1 mtt85 -152.5 172.99 15.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.569 ' CG ' HG21 ' A' ' 160' ' ' VAL . 10.2 m-85 -88.71 120.55 30.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -125.02 146.55 49.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.82 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.411 ' HA ' ' HB3' ' A' ' 165' ' ' GLN . 15.8 m -48.42 171.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.452 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.646 HD11 ' HB3' ' A' ' 164' ' ' MET . 3.7 mt -89.53 51.25 2.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -121.56 130.69 53.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.834 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 73.36 6.47 5.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.526 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -106.79 103.83 13.36 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.81 0.338 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.897 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.865 0.364 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.42 HD12 ' HG2' ' A' ' 144' ' ' ARG . 31.9 mt -108.68 155.21 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.41 ' N ' HG22 ' A' ' 125' ' ' ILE . 21.1 m -118.89 149.48 41.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 24.3 t -59.83 131.32 50.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -63.55 -31.7 72.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.785 HG11 ' CE1' ' A' ' 152' ' ' HIS . 21.0 t -58.22 122.92 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.316 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.55 157.54 32.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 60.58 27.9 17.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 52.3 t -134.26 110.74 9.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -92.19 46.16 2.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.367 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -86.18 99.71 11.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.883 0.373 . . . . 0.0 111.113 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -71.21 132.78 45.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.707 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.738 HD13 ' HA ' ' A' ' 144' ' ' ARG . 67.3 mt -95.49 41.03 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.6 t -109.1 -28.05 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.997 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.58 30.98 2.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 5.6 m -122.32 175.95 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.136 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -106.08 -78.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.29 -179.11 6.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' TYR . . . . . 0.402 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 0.9 OUTLIER 60.2 30.87 20.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.402 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 13.5 m170 -162.97 -45.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.738 ' HA ' HD13 ' A' ' 136' ' ' LEU . 3.2 tmt_? -76.41 -44.42 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -42.53 79.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 64.7 m80 -79.74 -5.68 55.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.499 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt 62.62 75.57 0.4 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.868 0.366 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.745 HG11 ' CE2' ' A' ' 167' ' ' PHE . 9.5 p 179.73 139.35 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 15.2 p -81.05 -177.11 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.819 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.98 -33.5 63.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.336 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 48.7 mm -61.35 -42.52 93.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.495 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.785 ' CE1' HG11 ' A' ' 129' ' ' VAL . 41.6 m80 -95.11 23.46 5.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.171 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 22.7 t -96.5 -30.63 13.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.906 0.384 . . . . 0.0 110.759 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.98 36.29 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -95.87 -179.72 4.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.194 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 3.0 m -89.03 -57.23 2.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.22 176.46 5.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -175.33 130.86 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.42 107.58 19.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.616 HG22 ' HA ' ' A' ' 129' ' ' VAL . 21.8 t -132.37 107.74 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.069 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.54 -50.8 2.97 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.567 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 175.87 -35.04 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.542 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 30.1 mt -107.71 148.69 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.923 0.392 . . . . 0.0 111.1 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.503 ' HB3' HD11 ' A' ' 177' ' ' LEU . 0.3 OUTLIER -72.56 149.66 43.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 165' ' ' GLN . . . . . 0.432 ' C ' HD21 ' A' ' 177' ' ' LEU . 0.8 OUTLIER -151.77 177.42 10.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 166' ' ' ARG . . . . . 0.407 ' HB3' ' CD2' ' A' ' 180' ' ' PHE . 35.6 ttt-85 -129.78 132.55 46.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.745 ' CE2' HG11 ' A' ' 148' ' ' VAL . 53.0 t80 -83.99 113.13 20.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.08 140.12 29.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -78.77 -31.81 46.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -71.51 -58.32 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 1.5 t -71.52 -29.21 64.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.967 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 13.5 m 62.5 37.33 13.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -147.36 152.21 37.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -72.38 108.94 5.75 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -112.42 140.86 46.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 9.6 m -55.17 168.63 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.503 HD11 ' HB3' ' A' ' 164' ' ' MET . 5.5 mt -91.44 51.06 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -105.24 -40.98 5.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -90.83 -31.46 16.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.407 ' CD2' ' HB3' ' A' ' 166' ' ' ARG . 70.4 m-85 -70.33 119.83 15.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.967 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.822 0.344 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.6 mt -132.84 122.64 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 62.4 m -76.47 145.14 39.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 35.1 t -55.06 124.95 18.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -57.55 -29.51 64.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 159' ' ' LEU . 20.8 t -62.2 144.66 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.78 156.22 27.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 61.03 28.24 18.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 18.6 t -140.02 80.57 1.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.84 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -78.84 61.01 4.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.474 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -102.41 121.92 43.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.798 0.333 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -82.2 127.99 33.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.471 HD21 ' HA ' ' A' ' 149' ' ' CYS . 44.6 mt -94.55 45.07 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.96 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 31.8 t -97.01 -28.36 14.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -98.27 30.68 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.961 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 7.3 m -110.08 179.14 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.09 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 5.7 mtmm -83.46 -77.3 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -168.64 -42.09 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -57.04 -30.61 64.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.427 ' O ' HD22 ' A' ' 136' ' ' LEU . 32.6 m170 -105.64 31.35 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.18 -59.68 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -32.84 70.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.806 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' HIS . . . . . 0.404 ' HB2' HG12 ' A' ' 148' ' ' VAL . 35.6 m170 -74.55 -11.7 60.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.257 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt 61.36 41.71 12.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.946 0.403 . . . . 0.0 110.952 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.404 HG12 ' HB2' ' A' ' 146' ' ' HIS . 10.9 p -144.14 139.92 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.981 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' CYS . . . . . 0.471 ' HA ' HD21 ' A' ' 136' ' ' LEU . 20.9 p -72.71 -168.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -82.42 -33.44 28.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.073 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 2.5 mp -59.73 -72.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.105 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -56.65 -24.72 50.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.1 -29.92 61.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -131.37 36.12 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -100.48 179.87 4.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 7.7 p -109.45 -30.38 7.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 51.5 p -134.34 136.26 43.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.035 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -151.77 150.95 30.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.568 ' O ' HG13 ' A' ' 129' ' ' VAL . 0.1 OUTLIER -104.12 122.71 45.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.426 HG22 ' HA ' ' A' ' 129' ' ' VAL . 20.4 t -141.1 100.97 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 93.87 -42.77 2.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.501 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 165.43 -29.59 0.21 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.408 HG22 ' N ' ' A' ' 164' ' ' MET . 22.6 mt -107.48 154.22 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.931 0.395 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.408 ' N ' HG22 ' A' ' 163' ' ' ILE . 4.3 mmt -77.6 149.67 34.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -161.89 172.71 15.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.9 161.19 25.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.426 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 43.9 t80 -106.57 153.38 22.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.82 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 5.5 t -120.22 160.14 23.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -98.3 -32.87 11.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -84.58 -44.89 13.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -75.26 -32.06 60.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 12.5 p 58.75 40.13 23.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -154.0 141.32 19.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 1.8 m-85 -68.37 128.2 35.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -131.27 146.37 52.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 11.8 m -56.84 147.29 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.261 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 3.0 mt -56.97 -24.32 52.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -55.06 -29.18 56.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.39 30.66 4.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.947 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -133.73 147.36 51.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.839 0.352 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 32.6 mt -100.09 152.25 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.17 154.26 21.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 17.5 t -59.44 136.5 57.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -73.93 -28.77 61.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.747 HG11 ' NE2' ' A' ' 152' ' ' HIS . 22.2 t -56.84 144.56 8.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.188 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.3 154.22 27.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 60.77 29.49 19.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 29.9 t -135.92 112.47 10.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -95.8 28.14 13.63 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.86 127.95 33.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.34 . . . . 0.0 111.152 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -96.8 133.63 41.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 38.7 mt -95.5 42.99 1.09 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.82 -30.6 11.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.923 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -98.09 29.19 3.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.031 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 16.8 m -113.1 164.96 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.0 mtmt -75.0 -69.26 0.48 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.024 0.44 . . . . 0.0 111.076 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -177.53 -38.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -52.17 -28.61 18.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -95.62 -22.35 17.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -96.82 33.3 1.9 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.967 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.92 -44.27 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.042 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -107.19 22.35 16.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.187 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.9 mttt 52.53 79.52 0.11 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.8 p -168.89 144.06 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.06 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.0 p -82.97 -176.48 6.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.969 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -75.47 -28.95 59.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.292 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 38.1 mm -61.76 -68.99 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.199 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.747 ' NE2' HG11 ' A' ' 129' ' ' VAL . 49.8 m80 -60.92 -19.04 60.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.37 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 47.8 t -55.16 -29.75 58.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 111.094 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -143.93 31.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.502 ' HB3' ' HA ' ' A' ' 152' ' ' HIS . . . -98.45 145.24 26.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -58.72 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.1 p -91.99 155.0 18.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -169.93 107.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.079 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.73 86.47 5.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.68 HG22 ' HA ' ' A' ' 129' ' ' VAL . 27.5 t -114.63 104.97 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 94.51 -40.5 2.71 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.585 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 162.14 -28.3 0.27 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 15.7 mt -111.64 150.38 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 111.009 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.52 ' HB3' HD11 ' A' ' 177' ' ' LEU . 10.0 mmt -76.33 138.0 40.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -145.39 176.43 9.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -129.35 131.01 46.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -83.94 101.88 12.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 4.5 t -84.42 123.68 30.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -60.42 -35.07 74.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -60.01 -65.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.798 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 36.1 m -65.8 -27.04 67.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.11 32.61 12.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -148.91 150.8 33.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.772 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -67.83 105.32 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -106.46 137.51 44.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 6.1 m -53.88 178.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.259 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.52 HD11 ' HB3' ' A' ' 164' ' ' MET . 11.5 mt -98.24 31.09 2.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -78.11 -31.34 49.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.811 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 39.7 mp0 -106.15 -31.76 8.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -93.38 102.08 14.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.85 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.834 0.35 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.671 HD12 ' HG2' ' A' ' 144' ' ' ARG . 32.7 mt -123.8 137.65 56.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.039 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 22.2 p -92.85 154.66 18.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 12.3 t -59.41 145.35 43.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.597 ' O ' HG13 ' A' ' 160' ' ' VAL . 11.4 pt20 -97.08 29.65 3.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.859 HG11 ' NE2' ' A' ' 152' ' ' HIS . 57.4 t -119.31 122.35 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.041 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -59.27 155.45 14.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.5 m120 62.32 29.04 17.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 23.1 t -131.38 -68.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 58.73 53.05 49.36 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.519 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -98.88 138.29 36.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.765 0.317 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -89.67 130.27 35.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.001 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.619 HD13 ' HA ' ' A' ' 144' ' ' ARG . 8.0 mt -102.4 34.16 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 79.3 p -94.26 -31.2 14.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -88.65 -20.19 25.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 136' ' ' LEU . 21.9 m -52.88 173.6 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.892 0.377 . . . . 0.0 111.332 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -74.88 -67.51 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.978 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -174.81 -40.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' TYR . . . . . 0.414 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 14.8 t80 -81.58 59.25 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.414 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 8.8 m170 -166.15 -46.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.784 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.671 ' HG2' HD12 ' A' ' 125' ' ' ILE . 7.0 ttm-85 -65.74 -52.12 53.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.832 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -30.8 68.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -82.76 -6.73 59.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.318 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.42 34.2 18.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.825 0.345 . . . . 0.0 111.073 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.5 p -146.23 137.66 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.021 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 21.7 p -73.05 -173.11 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.6 -29.77 56.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 39.3 mm -62.43 -69.27 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.195 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.859 ' NE2' HG11 ' A' ' 129' ' ' VAL . 50.4 m80 -60.22 -20.25 57.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.309 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -30.17 62.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -132.25 37.55 3.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -107.54 173.89 6.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.656 ' O ' HD11 ' A' ' 177' ' ' LEU . 76.6 p -109.81 -32.18 7.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.52 126.27 51.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.008 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 165' ' ' GLN . . . -148.37 118.96 7.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.064 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.63 107.65 10.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 128' ' ' GLN . 24.7 t -135.19 126.06 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 58.47 33.39 71.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.461 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 69.93 27.51 73.01 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.558 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 27.7 mt -147.52 140.01 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.768 0.318 . . . . 0.0 111.113 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.54 136.55 40.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 165' ' ' GLN . . . . . 0.645 ' O ' ' HB3' ' A' ' 158' ' ' ALA . 4.8 pt20 -166.85 172.67 10.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' ARG . . . . . 0.403 ' HD3' ' CG ' ' A' ' 180' ' ' PHE . 11.5 ptm180 -138.74 159.98 40.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.947 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -75.66 164.5 26.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 2.0 t -136.39 113.57 10.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -63.6 -34.62 78.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -73.92 -67.56 0.59 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 58.9 m -61.85 -26.1 67.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 20.5 t 64.76 32.96 10.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.825 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.58 157.06 37.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.81 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.9 138.64 52.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' HIS . . . . . 0.433 ' HB2' ' CE2' ' A' ' 180' ' ' PHE . 48.2 m-70 -136.49 140.42 43.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 15.7 m -54.69 158.59 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.364 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.656 HD11 ' O ' ' A' ' 156' ' ' THR . 0.9 OUTLIER -69.68 -26.9 64.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.967 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.3 -30.17 59.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.008 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -71.98 -54.3 10.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.837 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.433 ' CE2' ' HB2' ' A' ' 175' ' ' HIS . 16.4 m-85 -78.45 112.86 15.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.843 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.825 0.345 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.455 HG21 ' HG3' ' A' ' 147' ' ' LYS . 30.4 mt -113.73 155.02 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.075 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 27.4 p -112.89 155.53 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 10.2 t -69.08 126.36 29.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -58.45 -27.64 64.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.671 HG11 ' CE1' ' A' ' 152' ' ' HIS . 30.4 t -57.54 118.16 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.054 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -54.08 -65.4 0.58 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -71.09 65.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 15.1 t -158.63 -66.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.917 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 58.96 28.28 63.37 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.319 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -72.87 168.24 19.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.937 0.399 . . . . 0.0 111.129 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.03 129.48 56.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.797 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.443 HD12 ' HB ' ' A' ' 125' ' ' ILE . 27.3 mt -96.56 40.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 91.9 p -96.64 -31.73 12.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -76.91 -31.67 56.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 19.6 m -64.56 179.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.279 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm -120.53 -78.34 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.94 -175.4 3.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 2.0 t80 69.09 -66.64 0.24 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -73.68 -29.36 62.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.44 37.42 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.938 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -117.05 -40.04 3.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.788 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -119.94 27.44 8.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.455 ' HG3' HG21 ' A' ' 125' ' ' ILE . 0.5 OUTLIER 57.63 93.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.084 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.0 p 179.29 146.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.997 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 16.9 p -93.47 178.04 5.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.744 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -69.64 -29.12 66.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.558 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 31.7 mm -62.44 -58.6 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.349 . . . . 0.0 111.435 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.671 ' CE1' HG11 ' A' ' 129' ' ' VAL . 52.4 m80 -78.55 -2.23 37.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.576 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 19.2 p -63.35 -36.46 83.78 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.955 0.407 . . . . 0.0 110.946 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.64 31.35 4.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -88.3 148.73 24.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.068 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 3.1 p -73.31 -31.0 63.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.149 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.2 158.15 44.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -165.83 129.82 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.23 99.96 12.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.823 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 129' ' ' VAL . 21.1 t -121.73 108.97 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.065 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 92.95 -47.97 2.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 169.77 -32.63 0.17 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.462 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 4.5 mt -106.67 139.81 26.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 3.7 mmt -60.85 157.24 15.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -165.94 179.96 5.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.26 142.39 45.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.432 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 66.1 t80 -91.93 106.24 18.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 10.8 t -72.95 154.48 40.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -93.35 -50.53 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.62 -32.16 71.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.99 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 33.7 m -95.74 -31.01 13.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 2.6 m 61.62 41.47 12.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -147.78 148.22 30.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.432 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 3.7 m-85 -70.83 101.28 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -89.48 130.76 35.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 11.4 p -50.87 140.31 5.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.344 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 13.1 tp -61.54 120.9 11.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -138.16 -70.16 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.04 48.21 1.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.796 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -97.87 34.35 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.969 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.101 -0.952 . . . . 0.0 110.79 -179.941 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.849 0.357 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.57 HG21 ' HG2' ' A' ' 147' ' ' LYS . 29.7 mt -125.33 136.43 60.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 36.1 m -94.33 150.17 20.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 8.7 t -59.14 127.73 33.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -57.44 -32.85 67.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.953 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.729 HG21 ' CG ' ' A' ' 152' ' ' HIS . 43.2 t -55.18 115.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -46.67 -67.86 0.24 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.407 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.1 65.56 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 8.9 t -167.56 111.99 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.059 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -100.84 44.69 1.53 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.252 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -88.08 161.28 17.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 111.191 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -124.61 130.8 53.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.79 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.591 HD13 ' HA ' ' A' ' 144' ' ' ARG . 32.6 mt -97.55 38.33 1.29 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.7 t -98.08 -30.95 12.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.44 -30.82 29.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 20.5 m -59.15 176.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.133 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.68 -78.75 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -137.86 -178.52 5.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 16.0 t80 69.02 -66.51 0.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -87.06 55.36 3.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.591 ' HA ' HD13 ' A' ' 136' ' ' LEU . 3.5 tmm_? -156.53 -64.6 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.813 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.86 -31.6 71.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -81.62 -12.3 58.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.268 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.57 ' HG2' HG21 ' A' ' 125' ' ' ILE . 13.1 mttt 67.46 79.78 0.22 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.859 0.362 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.504 HG11 ' CE1' ' A' ' 167' ' ' PHE . 11.1 p 179.07 149.72 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 17.6 p -96.9 169.86 9.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.806 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.8 -24.87 66.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.741 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 23.0 mm -68.71 -65.89 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.694 0.283 . . . . 0.0 111.466 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.729 ' CG ' HG21 ' A' ' 129' ' ' VAL . 51.3 m80 -67.71 -12.25 60.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.638 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 53.5 p -57.79 -28.74 64.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.807 0.337 . . . . 0.0 110.973 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -147.4 34.52 0.87 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -86.37 170.92 11.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.97 -48.02 55.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 75.1 p -141.43 163.7 32.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -157.71 132.44 8.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.11 113.19 24.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.973 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 41.3 t -129.25 97.07 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.018 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 90.75 -48.47 3.05 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.529 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 175.63 -35.32 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 9.2 mt -101.21 131.73 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.738 0.304 . . . . 0.0 111.046 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.705 ' HB3' HD21 ' A' ' 177' ' ' LEU . 3.3 mtt -62.25 158.69 16.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 165' ' ' GLN . . . . . 0.447 ' CA ' HD23 ' A' ' 177' ' ' LEU . 0.8 OUTLIER -168.03 169.31 11.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 -117.35 -176.95 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.504 ' CE1' HG11 ' A' ' 148' ' ' VAL . 51.7 t80 -122.08 129.8 52.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.33 151.69 21.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -96.88 -42.73 7.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -84.04 -34.39 24.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.958 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.79 -27.45 23.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.028 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 23.6 m 64.17 170.93 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 62.09 159.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -74.3 135.0 42.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -131.44 134.82 46.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.8 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 21.3 t -56.88 145.94 6.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.705 HD21 ' HB3' ' A' ' 164' ' ' MET . 0.8 OUTLIER -87.17 61.59 6.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.899 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -79.56 -34.6 40.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.819 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -144.67 25.61 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -86.45 107.81 18.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.84 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.816 0.341 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.599 HD12 ' HG3' ' A' ' 144' ' ' ARG . 25.4 mt -132.44 132.36 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.158 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 21.5 p -85.51 153.45 22.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 35.2 t -63.63 130.05 42.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.779 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -57.05 -29.98 63.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.976 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.833 HG11 ' CE1' ' A' ' 152' ' ' HIS . 26.1 t -59.55 122.13 8.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.082 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -57.96 -59.34 5.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.92 64.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 5.0 t -153.49 -67.03 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 63.44 30.03 76.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -84.21 -177.44 6.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.778 0.323 . . . . 0.0 111.133 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -130.32 142.65 50.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 27.2 mt -118.06 44.87 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.9 m -95.03 -30.79 13.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -79.07 -31.17 44.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 31.6 m -59.66 -179.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -128.28 -78.16 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.53 175.32 9.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' TYR . . . . . 0.413 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 1.2 t80 59.06 30.26 20.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 21.6 m-70 -165.91 -48.1 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.599 ' HG3' HD12 ' A' ' 125' ' ' ILE . 0.0 OUTLIER -68.64 -50.81 48.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -48.72 80.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -71.56 -13.79 61.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.314 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.544 ' HG2' HG21 ' A' ' 125' ' ' ILE . 10.9 mttm 61.99 78.87 0.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.893 0.378 . . . . 0.0 110.925 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.8 p -178.9 141.24 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 18.2 p -74.46 -166.07 0.4 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.53 -31.66 19.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.944 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 2.6 mp -60.05 -72.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.111 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.833 ' CE1' HG11 ' A' ' 129' ' ' VAL . 52.8 m80 -57.41 -23.16 47.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.16 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.22 -25.88 49.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.866 0.365 . . . . 0.0 111.003 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -147.72 30.9 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.757 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -84.28 -173.08 4.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.253 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.41 -54.13 3.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.2 p -136.08 121.03 18.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.181 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -101.97 -169.72 1.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.525 ' H ' HG13 ' A' ' 129' ' ' VAL . 0.4 OUTLIER -152.27 93.55 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.881 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.744 HG22 ' HA ' ' A' ' 129' ' ' VAL . 25.4 t -130.94 123.83 54.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.023 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 71.53 28.38 69.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.458 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 69.22 26.4 74.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.52 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 24.9 mt -148.8 136.57 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.836 0.351 . . . . 0.0 111.004 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.4 158.67 33.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 165' ' ' GLN . . . . . 0.468 ' NE2' ' HB3' ' A' ' 174' ' ' PHE . 9.6 pt20 -170.38 -177.81 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -148.22 136.92 21.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 168' ' ' CYS . 17.6 t80 -75.64 148.34 38.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 168' ' ' CYS . . . . . 0.443 ' N ' ' CD1' ' A' ' 167' ' ' PHE . 3.8 t -132.55 144.65 50.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -85.96 -36.32 19.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -74.86 -44.24 50.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.439 ' HB3' ' CD2' ' A' ' 175' ' ' HIS . 10.9 m -85.52 -26.87 25.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 63.74 159.18 0.09 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.767 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 61.33 160.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.468 ' HB3' ' NE2' ' A' ' 165' ' ' GLN . 5.4 m-85 -61.95 149.76 39.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 175' ' ' HIS . . . . . 0.439 ' CD2' ' HB3' ' A' ' 171' ' ' CYS . 17.8 m-70 -148.14 124.74 11.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.698 HG13 ' HG3' ' A' ' 178' ' ' GLU . 11.4 p -54.89 152.48 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.271 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 38.5 mt -63.09 88.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.698 ' HG3' HG13 ' A' ' 176' ' ' VAL . 5.8 mt-10 -110.86 -33.02 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -157.06 31.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -104.73 112.53 25.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.955 179.919 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.767 0.317 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.692 ' O ' HD12 ' A' ' 136' ' ' LEU . 22.7 mt -132.75 117.29 29.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 22.0 m -72.56 158.74 35.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.009 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' CYS . . . . . 0.439 ' SG ' HG23 ' A' ' 129' ' ' VAL . 24.7 t -57.0 125.7 23.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.978 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -58.59 -26.17 63.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.678 HG11 ' CE1' ' A' ' 152' ' ' HIS . 46.9 t -55.99 136.27 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 0.0 110.979 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.21 -77.47 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.195 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -70.19 65.97 0.28 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 4.3 t -172.49 100.47 0.15 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -96.84 30.41 8.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.392 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.11 146.75 46.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 111.179 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -109.24 115.0 29.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 125' ' ' ILE . 16.1 mt -87.98 54.96 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.9 p -97.18 -29.95 13.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.35 39.03 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 6.1 m -106.3 173.34 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.75 -78.31 0.15 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.018 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -168.04 -42.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' TYR . . . . . 0.425 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 7.8 t80 -76.11 61.07 1.52 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.425 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 2.5 m170 -174.37 -41.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.715 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.59 ' CG ' HD12 ' A' ' 125' ' ' ILE . 9.6 ttp180 -68.46 -51.44 43.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.85 -31.25 64.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -86.08 -13.13 48.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.243 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.638 ' HG3' HG21 ' A' ' 125' ' ' ILE . 0.0 OUTLIER 61.81 55.55 2.61 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.892 0.377 . . . . 0.0 110.861 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.6 p -156.06 150.78 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 22.6 p -88.1 -170.66 3.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.001 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.22 -34.09 49.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.062 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 2.6 mp -59.65 -72.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.042 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.678 ' CE1' HG11 ' A' ' 129' ' ' VAL . 45.4 m80 -57.18 -26.61 60.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.053 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.23 -30.23 66.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.926 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.73 35.99 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -95.53 -171.54 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.035 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 82.1 p -106.5 -35.92 6.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.1 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.87 147.68 48.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.094 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -157.21 140.78 15.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 159' ' ' LEU . 0.3 OUTLIER -96.93 106.97 19.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.23 124.78 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 63.77 38.19 95.8 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.515 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 64.68 26.61 71.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 164' ' ' MET . 31.4 mt -147.38 159.09 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 111.136 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.635 ' HB3' HD11 ' A' ' 177' ' ' LEU . 1.1 mmt -94.94 140.54 29.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.721 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -161.81 -178.01 6.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -140.35 139.02 35.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.418 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 42.3 t80 -79.79 127.01 31.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 4.6 p -114.4 132.1 56.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -64.13 -30.87 71.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.65 -75.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.81 -26.93 63.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.07 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.74 31.27 14.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -138.62 143.94 39.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 1.7 m-85 -68.9 96.89 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -103.33 144.49 31.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 5.5 m -51.74 176.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.278 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.635 HD11 ' HB3' ' A' ' 164' ' ' MET . 2.9 mt -97.96 31.29 2.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -100.7 34.82 2.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.948 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -164.79 -44.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -76.0 130.1 37.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.821 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.918 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 120.934 0.397 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.579 HD12 ' HG2' ' A' ' 144' ' ' ARG . 17.8 mt -108.6 153.73 10.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.044 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.401 ' N ' HG22 ' A' ' 125' ' ' ILE . 1.3 m -114.53 153.52 29.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 44.4 t -67.97 125.46 26.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -59.05 -29.65 67.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.795 HG11 ' NE2' ' A' ' 152' ' ' HIS . 30.6 t -58.69 120.7 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.75 155.73 18.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 60.72 29.34 18.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 17.7 t -137.11 103.41 5.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -92.29 46.91 2.61 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -85.27 108.84 17.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.329 . . . . 0.0 111.122 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -75.96 127.73 33.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 46.0 mt -96.39 41.78 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 29.6 t -99.28 -34.66 10.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -77.68 -30.74 52.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.509 HG21 ' O ' ' A' ' 143' ' ' HIS . 30.4 m -58.96 173.15 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -111.59 -77.19 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.47 179.0 6.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.773 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 9.8 t80 69.33 -66.0 0.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.509 ' O ' HG21 ' A' ' 139' ' ' VAL . 29.1 m80 -89.21 51.27 2.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.579 ' HG2' HD12 ' A' ' 125' ' ' ILE . 4.1 tmt_? -150.54 -56.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -71.11 -34.54 71.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.698 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -80.57 -14.1 58.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.2 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 7.2 mttm 64.6 80.49 0.23 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.775 0.321 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 148' ' ' VAL . 10.8 p -179.57 124.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.7 p -58.41 -166.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.802 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -88.75 -29.21 19.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.153 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 39.5 mm -61.58 -70.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.361 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.795 ' NE2' HG11 ' A' ' 129' ' ' VAL . 51.8 m80 -60.68 -24.32 65.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.301 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 6.0 t -55.89 -29.58 60.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.029 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.66 32.49 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -100.4 167.29 10.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 45.0 p -94.04 -27.89 16.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.03 150.11 50.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.16 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -166.57 143.45 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.21 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.07 111.71 24.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.441 HG22 ' HA ' ' A' ' 129' ' ' VAL . 17.2 t -131.63 102.18 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 93.11 -48.02 2.44 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 169.64 -32.6 0.17 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.412 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 3.6 mt -100.83 135.56 36.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.8 0.333 . . . . 0.0 111.07 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.597 ' HB3' HD11 ' A' ' 177' ' ' LEU . 0.6 OUTLIER -60.34 164.09 4.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.6 178.66 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 166' ' ' ARG . . . . . 0.57 ' HD2' HD23 ' A' ' 177' ' ' LEU . 0.2 OUTLIER -144.91 116.53 8.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.433 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 53.0 t80 -72.68 126.22 29.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.26 -178.36 3.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -101.73 -47.54 4.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -82.0 -48.5 11.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.81 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 91.7 m -59.96 -36.93 78.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 2.4 m 60.85 165.95 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 62.18 150.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 4.3 m-85 -73.46 105.45 4.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -108.19 132.91 53.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.012 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 16.5 m -52.66 -178.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.243 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.597 HD11 ' HB3' ' A' ' 164' ' ' MET . 0.3 OUTLIER -91.09 38.93 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.049 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -112.46 -32.31 6.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.075 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.09 31.27 2.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.922 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.421 ' CG ' ' HD3' ' A' ' 166' ' ' ARG . 97.7 m-85 -138.04 31.1 2.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.75 -179.948 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.788 0.328 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 126' ' ' CYS . 18.9 mm -101.81 156.35 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.42 ' N ' HG22 ' A' ' 125' ' ' ILE . 5.0 p -125.04 151.07 46.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 10.1 t -69.37 124.4 23.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -59.05 -25.96 64.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.798 HG11 ' CE1' ' A' ' 152' ' ' HIS . 39.2 t -57.36 124.43 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.133 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -58.36 -67.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.072 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -70.37 65.65 0.29 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.982 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 9.8 t -155.84 -66.87 0.12 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 59.56 28.26 64.87 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.485 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -73.47 173.62 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -119.74 139.98 51.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 55.7 mt -115.51 48.32 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 27.7 t -97.49 -28.92 13.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.0 34.78 1.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 4.1 m -112.16 179.38 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.196 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -95.09 -69.49 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -174.18 -38.69 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.006 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -50.49 -27.54 6.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.258 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -107.9 -29.79 8.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -53.35 58.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -71.49 -44.08 65.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.99 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -59.11 -21.72 59.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 65.71 71.28 0.43 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.997 0.427 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.546 HG11 ' CE1' ' A' ' 167' ' ' PHE . 8.7 p 179.17 155.26 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' CYS . . . . . 0.432 ' N ' HG22 ' A' ' 148' ' ' VAL . 20.8 p -89.53 179.32 6.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.841 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -71.11 -25.9 62.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.433 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 32.4 mm -66.6 -69.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.468 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.798 ' CE1' HG11 ' A' ' 129' ' ' VAL . 49.6 m80 -62.71 -28.54 70.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.202 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 13.2 t -58.52 -31.52 67.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -125.67 32.97 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -101.53 170.9 7.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.62 -30.84 18.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.073 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 3.5 p -141.01 167.13 22.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.095 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -161.84 177.83 9.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.02 99.68 4.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.586 HG21 ' CD2' ' A' ' 174' ' ' PHE . 12.7 t -131.13 125.58 57.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 68.14 34.44 81.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.519 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 65.17 28.1 73.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.518 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 164' ' ' MET . 33.7 mt -146.39 158.75 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.72 ' HB3' HD13 ' A' ' 177' ' ' LEU . 0.2 OUTLIER -89.15 154.86 19.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.756 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 165' ' ' GLN . . . . . 0.669 ' HA ' HD12 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -168.28 -179.09 3.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.905 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -149.71 131.5 15.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.546 ' CE1' HG11 ' A' ' 148' ' ' VAL . 3.0 t80 -64.53 112.54 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.936 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.45 -9.81 59.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.334 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 65.35 -75.85 0.05 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -54.82 40.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 24.1 m -65.76 -25.34 67.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.023 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.64 165.54 0.18 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.27 144.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.586 ' CD2' HG21 ' A' ' 160' ' ' VAL . 16.4 m-85 -67.21 124.13 22.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -110.11 127.48 54.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 11.2 p -58.69 143.55 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.175 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.72 HD13 ' HB3' ' A' ' 164' ' ' MET . 1.8 mp -64.12 120.19 11.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -147.89 -49.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -119.21 -37.42 3.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -57.04 128.64 37.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.885 0.374 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.747 HG21 ' HG2' ' A' ' 147' ' ' LYS . 28.6 mt -135.86 116.79 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.182 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 35.1 m -63.95 157.91 23.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' CYS . . . . . 0.483 ' SG ' HG23 ' A' ' 129' ' ' VAL . 24.8 t -58.05 146.9 31.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -96.6 34.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.851 HG11 ' NE2' ' A' ' 152' ' ' HIS . 46.9 t -117.74 134.68 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -58.13 139.68 54.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 63.44 30.52 15.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.031 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 9.0 t -146.0 82.51 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.934 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -92.94 46.08 2.48 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -75.71 118.11 18.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.34 . . . . 0.0 111.167 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -71.46 127.13 31.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.78 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 125' ' ' ILE . 84.5 mt -92.69 47.9 1.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.54 -22.32 17.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.017 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -95.46 35.06 1.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.066 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 7.3 m -127.86 170.79 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.084 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -115.36 -38.49 3.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.54 -178.08 0.72 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' TYR . . . . . 0.408 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 3.0 t80 58.81 27.02 15.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.011 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 17.4 m170 -161.86 -49.24 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.494 ' O ' HD12 ' A' ' 125' ' ' ILE . 1.6 tmm_? -75.41 -37.86 60.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -69.39 -32.72 71.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -96.55 -11.15 25.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.747 ' HG2' HG21 ' A' ' 125' ' ' ILE . 30.8 mttt 65.68 78.37 0.27 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.94 0.4 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.529 HG11 ' CE2' ' A' ' 167' ' ' PHE . 10.6 p -174.8 135.65 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 22.7 p -73.91 -169.51 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.87 -28.88 32.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.247 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 37.4 mm -63.79 -69.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.226 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.851 ' NE2' HG11 ' A' ' 129' ' ' VAL . 50.6 m80 -60.03 -27.82 67.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.128 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.1 t -58.63 -30.29 67.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -131.07 36.74 3.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.813 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -99.27 -174.89 2.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.74 -34.45 7.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.2 p -139.81 105.65 5.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -108.89 133.01 53.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.644 ' O ' HG13 ' A' ' 129' ' ' VAL . 0.2 OUTLIER -85.85 123.98 31.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 19.1 t -152.35 111.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 74.27 32.12 58.51 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 77.42 2.71 80.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.955 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 164' ' ' MET . 5.1 mt -128.73 158.53 41.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.805 0.336 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.485 ' N ' HG22 ' A' ' 163' ' ' ILE . 7.1 mtt -92.4 168.39 11.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.17 178.51 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -136.11 125.46 24.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.529 ' CE2' HG11 ' A' ' 148' ' ' VAL . 42.9 t80 -62.67 116.89 5.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.3 131.72 38.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.811 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -83.07 -30.38 28.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -83.1 -54.09 5.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -77.62 -20.41 53.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.195 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 15.0 m 65.87 163.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 110.922 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 49.2 mtm180 62.0 166.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -69.23 155.64 40.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 175' ' ' HIS . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 180' ' ' PHE . 5.4 m-70 -144.28 118.52 9.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.009 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 177' ' ' LEU . 11.9 p -54.46 154.96 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.263 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.422 ' N ' HG22 ' A' ' 176' ' ' VAL . 30.5 mt -71.47 128.3 35.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -172.6 78.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.61 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.17 35.37 2.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.777 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.447 ' CZ ' ' HB3' ' A' ' 175' ' ' HIS . 5.0 m-85 -85.44 -31.03 23.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.873 180.0 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.839 0.352 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.75 HD12 ' HG2' ' A' ' 144' ' ' ARG . 25.2 mt -103.44 155.75 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.424 ' N ' HG22 ' A' ' 125' ' ' ILE . 10.3 m -108.17 156.68 19.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' CYS . . . . . 0.431 ' SG ' HG23 ' A' ' 129' ' ' VAL . 21.5 t -63.73 125.63 24.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -57.51 -25.4 59.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.785 ' HA ' HG22 ' A' ' 160' ' ' VAL . 42.3 t -58.76 135.57 23.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -76.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -69.41 67.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.898 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 4.7 t -171.13 103.98 0.22 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -97.58 27.79 17.17 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.411 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.35 141.34 57.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.774 0.321 . . . . 0.0 111.182 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.6 114.7 29.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.5 mt -85.14 57.19 4.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 8.4 t -110.43 -33.3 6.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.33 -31.54 64.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.838 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 31.0 m -63.88 176.72 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -101.46 -76.95 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -148.06 -169.8 3.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 9.1 t80 69.08 -66.89 0.23 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -66.91 -33.01 74.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.75 ' HG2' HD12 ' A' ' 125' ' ' ILE . 13.4 ttm-85 -71.41 -49.32 43.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -59.77 -36.21 76.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -75.77 -17.1 60.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.184 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 36.7 mttp 66.03 44.03 2.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.898 0.38 . . . . 0.0 110.799 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.0 p -147.78 141.79 19.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.016 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 21.5 p -79.24 -176.31 5.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.1 -28.25 61.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.199 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 35.3 mm -64.12 -70.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.318 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.694 ' CG ' HG21 ' A' ' 129' ' ' VAL . 50.8 m80 -62.22 -17.99 59.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.31 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.27 -55.84 21.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.965 0.412 . . . . 0.0 111.132 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.84 37.58 3.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.043 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -96.55 175.44 6.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.226 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 6.4 m -107.86 -29.15 9.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 1.8 p -125.35 126.28 44.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -141.75 125.32 16.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.28 103.09 13.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.785 HG22 ' HA ' ' A' ' 129' ' ' VAL . 15.2 t -138.22 136.14 44.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 58.96 29.09 64.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.523 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 68.76 22.13 75.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.559 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 19.2 mt -150.77 133.36 6.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.787 0.327 . . . . 0.0 111.012 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 1.3 mtt -65.8 145.71 55.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -162.51 178.87 8.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' ARG . . . . . 0.4 ' HB3' ' NH1' ' A' ' 166' ' ' ARG . 6.9 mtp-105 -125.94 165.35 18.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.807 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -119.6 111.64 18.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 9.0 t -99.8 129.17 45.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -63.4 -33.48 75.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -72.79 -43.07 63.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 86.2 m -68.73 -29.88 68.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.63 34.79 17.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.72 158.25 3.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -75.09 134.36 41.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -135.15 139.76 44.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 5.4 m -50.76 178.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.454 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 8.3 mt -93.62 44.23 1.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -109.04 -30.62 7.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.794 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -106.38 28.67 7.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -142.81 134.72 26.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.924 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.848 0.356 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 126' ' ' CYS . 30.6 mt -137.13 154.49 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.404 ' N ' HG22 ' A' ' 125' ' ' ILE . 1.8 m -106.09 162.09 13.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' CYS . . . . . 0.441 ' SG ' HG23 ' A' ' 129' ' ' VAL . 14.8 t -60.01 144.23 49.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -82.1 -24.88 34.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.712 HG21 ' CG ' ' A' ' 152' ' ' HIS . 39.8 t -54.33 133.68 17.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.17 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -54.85 -75.12 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.201 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -69.79 65.96 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 8.6 t -169.16 127.62 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.0 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -123.07 42.39 1.61 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.356 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -83.17 172.31 12.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 111.174 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -119.01 166.0 13.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.2 mt -138.26 32.29 2.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 26.3 p -87.48 -31.48 19.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -74.42 -30.86 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 30.7 m -70.09 176.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.164 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -115.17 -77.83 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -132.68 171.97 13.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 1.2 t80 60.21 33.05 21.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -164.17 -44.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -82.9 -53.14 6.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.26 -31.82 71.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -85.36 -13.33 49.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.298 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.92 80.72 0.22 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.861 0.362 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 9.2 p -179.84 130.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 30.0 p -67.82 -172.13 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.93 8.32 18.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.857 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 38.1 mm -104.11 -67.08 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.712 ' CG ' HG21 ' A' ' 129' ' ' VAL . 49.3 m80 -62.3 -21.24 65.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.38 -27.83 64.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.014 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -139.14 31.54 2.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.813 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -90.82 -173.9 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -100.65 -41.9 6.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.219 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 67.5 p -131.42 133.25 45.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -134.26 116.64 15.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.93 102.76 4.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.002 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 4.4 t -134.45 115.9 20.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 69.06 36.04 79.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.473 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 69.95 25.59 75.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.561 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.484 HG22 ' N ' ' A' ' 164' ' ' MET . 22.0 mt -150.82 158.83 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 0.0 111.04 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.484 ' N ' HG22 ' A' ' 163' ' ' ILE . 12.3 mtt -99.35 147.87 24.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' GLN . . . . . 0.424 ' HG3' ' CD1' ' A' ' 174' ' ' PHE . 0.1 OUTLIER -149.68 -178.79 6.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.975 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 35.5 ttt-85 -138.62 124.67 20.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -66.93 112.58 4.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.9 151.63 23.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.98 -47.02 21.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -69.17 -41.78 76.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 15.5 m -72.48 -30.25 64.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 69.1 m 61.9 30.12 18.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -177.19 161.06 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 174' ' ' PHE . . . . . 0.424 ' CD1' ' HG3' ' A' ' 165' ' ' GLN . 54.6 m-85 -60.11 156.77 14.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -164.03 41.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 177' ' ' LEU . 22.0 t 61.0 155.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.426 ' N ' HG12 ' A' ' 176' ' ' VAL . 92.7 mt -77.84 69.25 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.792 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -96.27 40.07 1.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.987 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 58.51 70.57 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -95.64 154.32 17.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.921 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.941 0.4 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.639 ' O ' HD12 ' A' ' 136' ' ' LEU . 30.4 mt -142.84 99.27 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.092 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.07 158.99 6.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' CYS . . . . . 0.433 ' SG ' HG23 ' A' ' 129' ' ' VAL . 8.8 t -58.66 145.86 38.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.816 ' O ' HG13 ' A' ' 160' ' ' VAL . 16.7 pt20 -96.73 24.88 5.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.058 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.549 ' HA ' HG22 ' A' ' 160' ' ' VAL . 24.6 t -109.23 148.26 13.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -72.58 145.6 47.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.038 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 62.39 30.88 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 16.8 t -144.78 105.82 4.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.886 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -100.06 34.15 5.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.388 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.18 141.55 53.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.843 0.354 . . . . 0.0 111.063 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -104.37 119.66 39.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 125' ' ' ILE . 33.7 mt -99.53 58.28 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 35.4 t -106.48 -45.41 4.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -71.14 -27.9 63.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 25.7 m -56.39 179.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.19 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -96.12 -75.8 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.985 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -157.95 -43.62 0.06 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -47.7 -42.77 25.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.297 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.536 ' O ' HD22 ' A' ' 136' ' ' LEU . 32.5 m170 -106.09 40.23 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.437 ' HA ' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -142.87 -48.86 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -63.11 -31.9 73.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' HIS . . . . . 0.448 ' HB2' HG12 ' A' ' 148' ' ' VAL . 38.1 m170 -83.84 -3.19 57.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.386 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.622 ' HG3' HG21 ' A' ' 125' ' ' ILE . 0.4 OUTLIER 61.2 28.09 17.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.718 0.294 . . . . 0.0 111.126 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.448 HG12 ' HB2' ' A' ' 146' ' ' HIS . 12.3 p -128.38 142.6 43.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.2 p -83.7 -171.48 3.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -75.45 -33.45 60.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.043 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.483 ' O ' ' HB2' ' A' ' 155' ' ' ALA . 50.2 mm -61.94 -42.84 96.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.277 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -95.46 26.53 3.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.188 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 34.1 t -104.71 -31.56 9.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.727 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.0 29.37 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 151' ' ' ILE . . . -91.96 159.25 15.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.072 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.705 ' O ' HG23 ' A' ' 157' ' ' THR . 31.3 p -97.26 24.15 6.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.296 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 156' ' ' THR . 0.2 OUTLIER -179.06 135.49 0.13 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.042 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -150.97 135.32 16.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.405 ' O ' HG13 ' A' ' 129' ' ' VAL . 0.3 OUTLIER -105.0 100.77 10.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.995 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.816 HG13 ' O ' ' A' ' 128' ' ' GLN . 39.0 t -127.64 132.33 69.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.986 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 62.63 28.39 71.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.506 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 72.12 31.09 64.39 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.535 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 164' ' ' MET . 25.4 mt -147.87 158.94 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.486 ' N ' HG22 ' A' ' 163' ' ' ILE . 6.3 mmt -93.46 133.89 36.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.21 -178.75 6.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.057 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -146.31 136.09 23.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.801 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -84.6 143.32 29.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.62 163.71 24.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -97.58 -53.67 3.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -63.01 -40.92 99.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 56.1 m -84.25 -31.15 25.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 11.8 t 61.1 167.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 60.73 158.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.76 131.31 44.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -122.84 131.52 53.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.828 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 14.1 m -49.59 164.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.534 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.77 37.62 1.28 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -81.51 -30.6 33.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.748 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.49 -37.87 4.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.751 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -68.49 123.06 19.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.903 -179.929 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.831 0.348 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.48 HG21 ' HG2' ' A' ' 147' ' ' LYS . 20.0 mt -100.89 156.74 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.074 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.426 ' N ' HG22 ' A' ' 125' ' ' ILE . 8.0 p -109.22 159.54 16.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 17.3 t -65.06 139.53 58.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -75.98 -29.97 58.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.581 HG13 ' O ' ' A' ' 159' ' ' LEU . 24.2 t -59.24 141.97 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.134 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.93 156.33 37.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.825 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 61.72 25.71 15.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 12.8 t -137.67 104.12 5.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.866 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -96.64 30.79 8.29 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.449 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.31 132.27 49.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 111.142 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -91.22 120.52 32.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 18.7 mt -87.98 54.3 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.795 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 87.8 p -107.3 -31.82 8.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.92 -33.1 68.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.963 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 10.3 m -61.6 170.08 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -111.17 -37.92 5.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.054 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.9 -174.84 0.69 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 2.8 t80 68.55 -67.51 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.956 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -64.92 -30.33 71.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -27.1 22.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.068 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -45.25 83.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -95.93 15.23 21.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.489 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.48 ' HG2' HG21 ' A' ' 125' ' ' ILE . 9.0 mtmt 50.2 86.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.908 0.385 . . . . 0.0 111.192 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.2 p -178.63 136.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.046 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 20.8 p -72.24 -171.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.721 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.62 -27.95 31.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.228 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 37.0 mm -62.29 -70.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.223 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -59.85 -25.0 64.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.18 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 14.4 t -56.21 -44.89 79.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.059 0.457 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -118.79 36.84 4.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.648 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -100.12 -179.91 4.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.057 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.72 -48.16 4.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 10.4 p -120.29 139.29 52.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.236 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -142.59 148.43 37.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.581 ' O ' HG13 ' A' ' 129' ' ' VAL . 0.2 OUTLIER -108.62 109.21 20.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 17.7 t -129.3 100.06 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.161 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 93.77 -45.38 2.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.467 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 165.39 -30.17 0.21 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.416 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 3.9 mt -99.1 135.25 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.361 . . . . 0.0 111.026 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.714 ' HB3' HD21 ' A' ' 177' ' ' LEU . 0.1 OUTLIER -65.14 146.32 55.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.955 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -154.97 177.12 11.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.94 128.6 30.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.79 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.433 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 61.4 t80 -75.85 128.18 34.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -87.13 155.45 20.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -98.56 -46.29 5.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -65.74 -55.81 15.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 59.0 m -74.01 -30.64 62.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.08 69.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.06 149.2 1.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 2.2 m-85 -73.6 147.33 43.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -161.09 137.83 8.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 15.7 m -48.81 146.93 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.152 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.714 HD21 ' HB3' ' A' ' 164' ' ' MET . 3.4 pp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.874 0.368 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 27.7 mt -112.34 123.25 67.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.46 146.92 29.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 35.3 t -57.24 136.38 56.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.978 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -58.19 -35.74 72.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.949 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.848 HG21 ' CG ' ' A' ' 152' ' ' HIS . 23.0 t -59.08 124.66 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -64.69 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.052 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -70.04 65.83 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 22.4 t -159.78 -66.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 59.39 33.41 75.95 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.48 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.21 150.95 31.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 0.0 111.171 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -94.2 137.2 33.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.804 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 60.7 mt -112.17 37.76 2.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 42.7 t -95.26 -25.18 16.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.008 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.39 38.31 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.979 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 8.8 m -127.42 170.43 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -98.12 -79.73 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.998 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -138.65 -179.11 5.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 69.41 -65.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -87.42 52.89 2.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -152.19 -61.79 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.727 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -34.29 76.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.621 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 36.8 m170 -78.96 -13.98 59.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.23 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.85 81.39 0.21 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.932 0.396 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.4 p -178.91 133.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 29.4 p -71.57 -172.59 0.8 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -84.89 7.97 19.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.779 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 40.5 mm -104.41 -68.45 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.713 0.292 . . . . 0.0 111.067 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.848 ' CG ' HG21 ' A' ' 129' ' ' VAL . 48.8 m80 -62.78 -24.65 67.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.079 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 24.8 t -56.81 -30.0 63.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.99 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -139.21 35.94 2.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -95.78 -173.78 2.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.063 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.38 -35.28 13.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 1.1 p -140.13 160.69 39.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.165 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.427 ' HB1' HG22 ' A' ' 129' ' ' VAL . . . -161.69 125.58 3.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.96 100.57 11.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.516 HG22 ' HA ' ' A' ' 129' ' ' VAL . 34.3 t -128.91 132.8 67.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.078 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 58.15 37.23 85.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.521 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 63.4 24.51 67.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.539 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 29.8 mt -148.54 140.69 18.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.838 0.351 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.543 ' HB3' HD11 ' A' ' 177' ' ' LEU . 6.5 mmt -80.62 123.71 28.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -140.95 179.16 6.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.796 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -125.58 158.51 34.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.421 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 53.9 t80 -113.11 141.6 46.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' CYS . . . . . 0.402 ' O ' ' CE2' ' A' ' 167' ' ' PHE . 0.5 OUTLIER -113.72 174.9 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -104.37 -31.42 9.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -72.81 -54.6 8.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 28.0 p -86.98 -30.38 21.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 11.8 p 59.09 36.99 24.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -125.74 136.7 53.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 3.2 m-85 -71.38 79.1 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.944 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -83.87 143.37 29.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 6.0 m -51.79 179.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.416 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 164' ' ' MET . 2.4 mt . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.053 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.769 0.318 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.837 HD12 ' HG3' ' A' ' 144' ' ' ARG . 25.0 mt -125.18 155.73 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.432 ' N ' HG22 ' A' ' 125' ' ' ILE . 8.8 t -114.72 160.23 19.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.008 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.52 126.63 29.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -59.65 -30.65 68.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.415 HG21 ' CG ' ' A' ' 152' ' ' HIS . 32.2 t -59.34 148.03 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -90.97 158.95 16.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.866 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 17.3 m120 60.68 25.41 15.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 42.0 t -118.9 -68.57 0.91 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.856 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 66.41 42.92 93.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.483 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.517 ' HB3' ' HB3' ' A' ' 149' ' ' CYS . . . -87.2 127.12 35.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -72.25 149.95 44.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 44.1 mt -128.6 48.01 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.5 m -103.43 -30.98 10.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -89.04 -22.4 22.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . 0.554 HG12 ' OE2' ' A' ' 150' ' ' GLU . 29.9 m -53.26 168.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.373 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -75.44 -78.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -167.63 -42.1 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.088 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -55.93 -33.53 64.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.974 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -99.75 34.45 2.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.837 ' HG3' HD12 ' A' ' 125' ' ' ILE . 2.2 tpp85 -124.58 -63.18 1.2 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -32.57 70.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -75.34 -13.27 60.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.316 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.418 ' HG2' HG21 ' A' ' 125' ' ' ILE . 12.1 mttt 61.49 64.41 1.06 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.883 0.373 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.7 p -164.94 133.82 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.0 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 134' ' ' ALA . 20.0 p -67.56 -167.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.791 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.554 ' OE2' HG12 ' A' ' 139' ' ' VAL . 1.6 mp0 -88.23 -27.96 21.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.237 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 41.7 mm -61.11 -68.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.263 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.415 ' CG ' HG21 ' A' ' 129' ' ' VAL . 52.1 m80 -61.59 -18.22 58.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.469 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 5.3 p -55.52 -31.1 61.8 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.822 0.344 . . . . 0.0 111.094 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -138.1 39.34 2.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -100.93 -176.09 3.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.071 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 6.1 p -112.47 -44.21 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.9 p -112.34 131.81 55.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.109 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 165' ' ' GLN . . . -151.17 131.39 13.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.498 HD13 ' N ' ' A' ' 160' ' ' VAL . 0.2 OUTLIER -92.97 121.32 34.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.498 ' N ' HD13 ' A' ' 159' ' ' LEU . 10.7 t -139.44 91.4 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 94.63 -46.61 2.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 173.93 -34.62 0.11 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.412 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 23.0 mt -99.73 135.86 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.343 . . . . 0.0 111.089 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.18 164.01 7.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . 0.437 ' O ' ' HB3' ' A' ' 158' ' ' ALA . 4.3 pt20 -177.56 176.76 1.23 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.809 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.46 144.41 28.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -71.37 157.73 37.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 73.9 m -127.57 135.26 50.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -72.82 -30.46 64.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.006 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -81.8 -69.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 1.3 t -59.06 -28.02 66.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.012 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 4.2 m 61.49 31.57 18.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.45 160.91 40.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.811 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -80.91 117.71 21.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.787 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -109.33 144.63 37.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 21.2 t -57.8 146.36 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 6.0 tp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.819 179.925 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.833 0.349 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 27.8 mt -127.39 138.87 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 75.9 m -93.16 155.34 17.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.003 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 8.6 t -60.79 129.38 41.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -67.82 -28.66 67.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 159' ' ' LEU . 21.9 t -58.49 141.95 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.175 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -75.47 153.46 37.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 62.93 27.37 15.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 12.2 t -140.14 83.39 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.914 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -83.42 57.55 5.06 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.444 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -96.8 144.23 26.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 111.174 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.01 127.72 46.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.458 HD22 ' O ' ' A' ' 143' ' ' HIS . 35.9 mt -91.49 50.47 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.7 m -106.67 -34.19 7.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.841 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -77.36 -28.55 52.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 29.5 m -57.31 173.13 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.204 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -74.07 0.16 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.71 -41.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -59.26 -30.89 68.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.458 ' O ' HD22 ' A' ' 136' ' ' LEU . 10.7 m170 -98.82 37.62 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -130.4 -64.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -31.42 69.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -69.96 -15.51 63.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.353 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? 65.66 48.67 1.9 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.97 0.414 . . . . 0.0 110.909 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.3 p -156.11 140.54 8.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.978 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.2 p -82.56 -168.84 2.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.836 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -79.2 -33.64 43.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.207 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.723 ' O ' ' HB2' ' A' ' 155' ' ' ALA . 49.3 mm -61.36 -43.67 97.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.385 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.492 ' CG ' HG21 ' A' ' 129' ' ' VAL . 47.7 m80 -93.95 20.8 7.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.301 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 20.4 t -92.42 -31.45 15.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.596 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.49 30.16 0.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.803 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' A' ' 151' ' ' ILE . . . -76.42 168.56 19.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 4.6 p -73.09 -30.38 63.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.064 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -155.98 161.67 40.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.184 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -150.53 157.03 42.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.641 ' O ' HG13 ' A' ' 129' ' ' VAL . 0.2 OUTLIER -116.46 114.69 24.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.005 -179.88 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' A' ' 129' ' ' VAL . 11.2 t -142.76 132.97 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.194 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 56.15 31.81 59.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.631 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 67.26 28.02 73.61 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.545 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 28.2 mt -146.18 137.9 19.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.23 143.85 50.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -167.79 179.28 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -141.01 162.41 35.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -99.8 138.53 36.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.73 148.2 30.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -87.99 -30.73 19.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.97 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -84.62 -32.36 23.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.971 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 13.6 m -86.34 -29.74 22.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 66.5 m 62.15 29.68 17.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -154.21 157.53 38.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.816 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -71.22 136.46 48.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.05 135.53 50.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.756 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 4.8 m -49.17 174.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.442 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.01 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.544 ' HB2' ' OG ' ' A' ' 137' ' ' SER . . . . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.835 0.35 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.596 ' O ' HD12 ' A' ' 136' ' ' LEU . 4.8 mt -121.62 94.09 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.005 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.22 157.19 11.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.969 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 26.4 t -58.24 133.32 55.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -63.88 -29.88 71.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.954 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.698 HG11 ' NE2' ' A' ' 152' ' ' HIS . 31.8 t -61.54 145.65 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.075 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.32 154.18 35.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 22.0 m120 59.89 30.73 20.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 4.3 t -138.55 103.57 4.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.793 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -96.17 38.21 3.18 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.537 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.82 114.85 7.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 0.0 111.088 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.78 124.25 26.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 125' ' ' ILE . 39.0 mt -107.72 45.11 1.02 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.544 ' OG ' ' HB2' ' A' ' 124' ' ' ALA . 0.8 OUTLIER -92.87 -40.73 10.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -107.22 41.36 1.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 5.1 m -100.28 -179.96 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -82.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 t0 178.39 -43.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -56.77 -29.49 62.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.069 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.4 ' CD2' ' OG ' ' A' ' 153' ' ' SER . 34.4 m170 -90.95 -28.74 17.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.568 ' HG2' HD12 ' A' ' 125' ' ' ILE . 2.1 tmt_? -69.53 -34.34 74.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.003 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.29 -30.47 48.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.996 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . 0.434 ' CE1' ' HB3' ' A' ' 172' ' ' SER . 20.0 m-70 -82.94 -10.79 58.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.37 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 14.9 mttt 63.17 47.67 4.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.891 0.376 . . . . 0.0 110.761 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.484 HG22 ' N ' ' A' ' 149' ' ' CYS . 12.3 p -150.63 159.0 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.015 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . 0.484 ' N ' HG22 ' A' ' 148' ' ' VAL . 20.5 p -90.61 -169.77 2.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.951 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -80.57 -30.89 36.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.02 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 41.7 mm -60.58 -69.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.698 ' NE2' HG11 ' A' ' 129' ' ' VAL . 49.9 m80 -59.7 -22.73 62.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . 0.4 ' OG ' ' CD2' ' A' ' 143' ' ' HIS . 0.3 OUTLIER -54.75 -37.91 66.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.923 0.392 . . . . 0.0 111.074 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.64 -21.42 11.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.161 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.643 ' HB3' ' HA ' ' A' ' 152' ' ' HIS . . . -53.28 163.51 0.57 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.801 0.334 . . . . 0.0 111.256 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.443 HG22 ' HE ' ' A' ' 166' ' ' ARG . 0.2 OUTLIER -96.45 -55.17 3.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 1.4 p -94.68 132.26 39.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -146.98 128.6 15.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.51 88.34 7.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.652 HG22 ' HA ' ' A' ' 129' ' ' VAL . 27.2 t -115.14 114.87 47.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.063 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 89.89 -50.05 3.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.602 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 171.86 -33.34 0.14 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 22.0 mt -110.99 153.6 12.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.731 0.3 . . . . 0.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.38 144.39 49.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.807 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . 0.401 ' HB3' ' HA ' ' A' ' 176' ' ' VAL . 1.9 pt20 -151.9 176.6 11.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.04 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . 0.443 ' HE ' HG22 ' A' ' 156' ' ' THR . 8.4 mtt180 -120.0 168.04 11.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.77 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -125.37 83.79 2.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.7 133.67 54.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -70.11 -42.97 71.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -65.83 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 91.4 m -63.34 -36.24 83.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . 0.434 ' HB3' ' CE1' ' A' ' 146' ' ' HIS . 8.1 m 59.92 70.03 0.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -176.54 133.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -63.4 109.28 1.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -117.84 136.63 53.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.022 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.401 ' HA ' ' HB3' ' A' ' 165' ' ' GLN . 14.7 m -53.86 178.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.386 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 10.7 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.03 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.796 0.332 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.1 mm -101.33 152.48 5.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -121.13 147.74 45.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 16.3 t -57.12 140.54 49.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.767 ' O ' HG13 ' A' ' 160' ' ' VAL . 28.1 pt20 -94.64 40.94 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.601 HG22 HG22 ' A' ' 160' ' ' VAL . 31.1 t -128.63 130.59 68.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.64 150.75 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 35.1 m120 62.43 25.61 15.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 8.8 t -144.95 97.4 3.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.949 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -96.5 29.16 10.74 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.484 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.5 127.22 30.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 111.21 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -89.58 122.76 33.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 76.2 mt -84.9 57.23 4.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.3 m -107.63 -24.46 11.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.97 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -96.69 32.0 2.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.029 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 18.9 m -118.79 170.06 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.117 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.47 -39.52 3.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -174.44 -177.77 1.28 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.016 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . 0.419 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 0.9 OUTLIER 58.54 25.39 13.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.037 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.419 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 21.4 m80 -161.8 -45.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 110.752 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -62.07 -32.81 73.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.25 -41.31 11.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -71.62 -22.28 61.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 1.5 mttp 66.24 75.66 0.33 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.5 p -179.4 134.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.989 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.5 p -73.14 -172.34 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.778 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -77.54 -31.24 53.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.238 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 43.6 mm -63.09 -42.64 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.419 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -96.4 33.72 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.992 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 41.1 t -110.18 -32.7 6.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.754 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -131.67 32.17 4.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -106.35 175.13 5.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.46 -34.94 6.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.34 129.27 53.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 165' ' ' GLN . . . -162.31 123.17 2.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.564 ' O ' HG13 ' A' ' 129' ' ' VAL . 0.2 OUTLIER -88.37 106.64 18.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.767 HG13 ' O ' ' A' ' 128' ' ' GLN . 24.2 t -116.33 97.49 5.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.234 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.42 -46.22 2.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.537 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 172.03 -31.62 0.12 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.603 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 4.8 mt -94.15 139.29 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.944 0.402 . . . . 0.0 111.042 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.646 ' HB3' HD11 ' A' ' 177' ' ' LEU . 7.6 mmt -69.94 117.99 12.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.95 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . 0.531 ' O ' ' HB3' ' A' ' 158' ' ' ALA . 0.0 OUTLIER -147.12 179.79 7.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -136.97 151.24 48.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -71.16 122.85 20.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 2.7 t -88.96 121.85 31.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -67.57 -38.44 84.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -65.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 30.9 t -58.57 -23.41 58.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 16.7 m 65.07 32.5 10.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.809 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 41.1 mtt85 -152.5 172.99 15.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.569 ' CG ' HG21 ' A' ' 160' ' ' VAL . 10.2 m-85 -88.71 120.55 30.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -125.02 146.55 49.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.82 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.411 ' HA ' ' HB3' ' A' ' 165' ' ' GLN . 15.8 m -48.42 171.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.452 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.646 HD11 ' HB3' ' A' ' 164' ' ' MET . 3.7 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.865 0.364 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.42 HD12 ' HG2' ' A' ' 144' ' ' ARG . 31.9 mt -108.68 155.21 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.41 ' N ' HG22 ' A' ' 125' ' ' ILE . 21.1 m -118.89 149.48 41.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 24.3 t -59.83 131.32 50.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -63.55 -31.7 72.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.785 HG11 ' CE1' ' A' ' 152' ' ' HIS . 21.0 t -58.22 122.92 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.316 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.55 157.54 32.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 60.58 27.9 17.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 52.3 t -134.26 110.74 9.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -92.19 46.16 2.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.367 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -86.18 99.71 11.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.883 0.373 . . . . 0.0 111.113 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -71.21 132.78 45.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.707 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.738 HD13 ' HA ' ' A' ' 144' ' ' ARG . 67.3 mt -95.49 41.03 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.6 t -109.1 -28.05 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.997 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.58 30.98 2.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 5.6 m -122.32 175.95 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.136 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -106.08 -78.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.29 -179.11 6.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . 0.402 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 0.9 OUTLIER 60.2 30.87 20.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.402 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 13.5 m170 -162.97 -45.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.738 ' HA ' HD13 ' A' ' 136' ' ' LEU . 3.2 tmt_? -76.41 -44.42 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -42.53 79.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 64.7 m80 -79.74 -5.68 55.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.499 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt 62.62 75.57 0.4 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.868 0.366 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.745 HG11 ' CE2' ' A' ' 167' ' ' PHE . 9.5 p 179.73 139.35 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 15.2 p -81.05 -177.11 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.819 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.98 -33.5 63.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.336 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 48.7 mm -61.35 -42.52 93.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.495 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.785 ' CE1' HG11 ' A' ' 129' ' ' VAL . 41.6 m80 -95.11 23.46 5.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.171 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 22.7 t -96.5 -30.63 13.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.906 0.384 . . . . 0.0 110.759 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.98 36.29 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -95.87 -179.72 4.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.194 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 3.0 m -89.03 -57.23 2.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.22 176.46 5.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -175.33 130.86 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.42 107.58 19.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.616 HG22 ' HA ' ' A' ' 129' ' ' VAL . 21.8 t -132.37 107.74 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.069 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.54 -50.8 2.97 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.567 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 175.87 -35.04 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.542 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 30.1 mt -107.71 148.69 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.923 0.392 . . . . 0.0 111.1 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.503 ' HB3' HD11 ' A' ' 177' ' ' LEU . 0.3 OUTLIER -72.56 149.66 43.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . 0.432 ' C ' HD21 ' A' ' 177' ' ' LEU . 0.8 OUTLIER -151.77 177.42 10.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 35.6 ttt-85 -129.78 132.55 46.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.745 ' CE2' HG11 ' A' ' 148' ' ' VAL . 53.0 t80 -83.99 113.13 20.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.08 140.12 29.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -78.77 -31.81 46.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -71.51 -58.32 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 1.5 t -71.52 -29.21 64.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.967 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 13.5 m 62.5 37.33 13.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -147.36 152.21 37.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -72.38 108.94 5.75 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -112.42 140.86 46.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 9.6 m -55.17 168.63 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.503 HD11 ' HB3' ' A' ' 164' ' ' MET . 5.5 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.822 0.344 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.6 mt -132.84 122.64 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 62.4 m -76.47 145.14 39.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 35.1 t -55.06 124.95 18.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -57.55 -29.51 64.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 159' ' ' LEU . 20.8 t -62.2 144.66 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.78 156.22 27.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 61.03 28.24 18.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 18.6 t -140.02 80.57 1.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.84 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -78.84 61.01 4.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.474 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -102.41 121.92 43.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.798 0.333 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -82.2 127.99 33.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.471 HD21 ' HA ' ' A' ' 149' ' ' CYS . 44.6 mt -94.55 45.07 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.96 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 31.8 t -97.01 -28.36 14.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -98.27 30.68 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.961 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 7.3 m -110.08 179.14 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.09 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 5.7 mtmm -83.46 -77.3 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -168.64 -42.09 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -57.04 -30.61 64.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.427 ' O ' HD22 ' A' ' 136' ' ' LEU . 32.6 m170 -105.64 31.35 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.18 -59.68 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -32.84 70.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.806 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . 0.404 ' HB2' HG12 ' A' ' 148' ' ' VAL . 35.6 m170 -74.55 -11.7 60.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.257 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt 61.36 41.71 12.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.946 0.403 . . . . 0.0 110.952 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.404 HG12 ' HB2' ' A' ' 146' ' ' HIS . 10.9 p -144.14 139.92 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.981 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . 0.471 ' HA ' HD21 ' A' ' 136' ' ' LEU . 20.9 p -72.71 -168.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -82.42 -33.44 28.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.073 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 2.5 mp -59.73 -72.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.105 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -56.65 -24.72 50.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.1 -29.92 61.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -131.37 36.12 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -100.48 179.87 4.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 7.7 p -109.45 -30.38 7.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 51.5 p -134.34 136.26 43.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.035 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -151.77 150.95 30.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.568 ' O ' HG13 ' A' ' 129' ' ' VAL . 0.1 OUTLIER -104.12 122.71 45.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.426 HG22 ' HA ' ' A' ' 129' ' ' VAL . 20.4 t -141.1 100.97 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 93.87 -42.77 2.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.501 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 165.43 -29.59 0.21 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.408 HG22 ' N ' ' A' ' 164' ' ' MET . 22.6 mt -107.48 154.22 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.931 0.395 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.408 ' N ' HG22 ' A' ' 163' ' ' ILE . 4.3 mmt -77.6 149.67 34.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -161.89 172.71 15.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.9 161.19 25.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.426 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 43.9 t80 -106.57 153.38 22.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.82 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 5.5 t -120.22 160.14 23.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -98.3 -32.87 11.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -84.58 -44.89 13.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -75.26 -32.06 60.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 12.5 p 58.75 40.13 23.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -154.0 141.32 19.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 1.8 m-85 -68.37 128.2 35.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -131.27 146.37 52.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 11.8 m -56.84 147.29 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.261 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.839 0.352 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 32.6 mt -100.09 152.25 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.17 154.26 21.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 17.5 t -59.44 136.5 57.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -73.93 -28.77 61.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.747 HG11 ' NE2' ' A' ' 152' ' ' HIS . 22.2 t -56.84 144.56 8.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.188 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.3 154.22 27.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 60.77 29.49 19.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 29.9 t -135.92 112.47 10.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -95.8 28.14 13.63 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.86 127.95 33.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.34 . . . . 0.0 111.152 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -96.8 133.63 41.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 38.7 mt -95.5 42.99 1.09 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.82 -30.6 11.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.923 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -98.09 29.19 3.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.031 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 16.8 m -113.1 164.96 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.0 mtmt -75.0 -69.26 0.48 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.024 0.44 . . . . 0.0 111.076 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -177.53 -38.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -52.17 -28.61 18.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -95.62 -22.35 17.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -96.82 33.3 1.9 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.967 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.92 -44.27 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.042 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -107.19 22.35 16.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.187 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.9 mttt 52.53 79.52 0.11 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.8 p -168.89 144.06 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.06 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.0 p -82.97 -176.48 6.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.969 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -75.47 -28.95 59.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.292 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 38.1 mm -61.76 -68.99 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.199 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.747 ' NE2' HG11 ' A' ' 129' ' ' VAL . 49.8 m80 -60.92 -19.04 60.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.37 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 47.8 t -55.16 -29.75 58.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 111.094 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -143.93 31.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.502 ' HB3' ' HA ' ' A' ' 152' ' ' HIS . . . -98.45 145.24 26.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -58.72 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.1 p -91.99 155.0 18.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -169.93 107.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.079 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.73 86.47 5.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.68 HG22 ' HA ' ' A' ' 129' ' ' VAL . 27.5 t -114.63 104.97 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 94.51 -40.5 2.71 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.585 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 162.14 -28.3 0.27 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 15.7 mt -111.64 150.38 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 111.009 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.52 ' HB3' HD11 ' A' ' 177' ' ' LEU . 10.0 mmt -76.33 138.0 40.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -145.39 176.43 9.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -129.35 131.01 46.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -83.94 101.88 12.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 4.5 t -84.42 123.68 30.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -60.42 -35.07 74.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -60.01 -65.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.798 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 36.1 m -65.8 -27.04 67.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.11 32.61 12.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -148.91 150.8 33.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.772 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -67.83 105.32 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -106.46 137.51 44.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 6.1 m -53.88 178.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.259 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.52 HD11 ' HB3' ' A' ' 164' ' ' MET . 11.5 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.834 0.35 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.671 HD12 ' HG2' ' A' ' 144' ' ' ARG . 32.7 mt -123.8 137.65 56.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.039 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 22.2 p -92.85 154.66 18.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 12.3 t -59.41 145.35 43.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.597 ' O ' HG13 ' A' ' 160' ' ' VAL . 20.3 pt20 -97.08 29.65 3.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.859 HG11 ' NE2' ' A' ' 152' ' ' HIS . 57.4 t -119.31 122.35 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.041 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -59.27 155.45 14.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.5 m120 62.32 29.04 17.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 23.1 t -131.38 -68.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 58.73 53.05 49.36 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.519 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -98.88 138.29 36.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.765 0.317 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -89.67 130.27 35.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.001 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.619 HD13 ' HA ' ' A' ' 144' ' ' ARG . 8.0 mt -102.4 34.16 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 79.3 p -94.26 -31.2 14.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -88.65 -20.19 25.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 136' ' ' LEU . 21.9 m -52.88 173.6 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.892 0.377 . . . . 0.0 111.332 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -74.88 -67.51 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.978 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -174.81 -40.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . 0.414 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 14.8 t80 -81.58 59.25 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.414 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 8.8 m170 -166.15 -46.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.784 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.671 ' HG2' HD12 ' A' ' 125' ' ' ILE . 7.0 ttm-85 -65.74 -52.12 53.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.832 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -30.8 68.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -82.76 -6.73 59.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.318 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.42 34.2 18.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.825 0.345 . . . . 0.0 111.073 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.5 p -146.23 137.66 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.021 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 21.7 p -73.05 -173.11 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.6 -29.77 56.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 39.3 mm -62.43 -69.27 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.195 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.859 ' NE2' HG11 ' A' ' 129' ' ' VAL . 50.4 m80 -60.22 -20.25 57.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.309 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -30.17 62.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -132.25 37.55 3.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -107.54 173.89 6.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.656 ' O ' HD11 ' A' ' 177' ' ' LEU . 76.6 p -109.81 -32.18 7.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.52 126.27 51.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.008 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 165' ' ' GLN . . . -148.37 118.96 7.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.064 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.63 107.65 10.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 128' ' ' GLN . 24.7 t -135.19 126.06 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 58.47 33.39 71.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.461 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 69.93 27.51 73.01 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.558 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 27.7 mt -147.52 140.01 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.768 0.318 . . . . 0.0 111.113 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.54 136.55 40.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . 0.645 ' O ' ' HB3' ' A' ' 158' ' ' ALA . 4.8 pt20 -166.85 172.67 10.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -138.74 159.98 40.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.947 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -75.66 164.5 26.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 2.0 t -136.39 113.57 10.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -63.6 -34.62 78.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -73.92 -67.56 0.59 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 58.9 m -61.85 -26.1 67.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 20.5 t 64.76 32.96 10.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.825 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.58 157.06 37.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.81 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.9 138.64 52.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -136.49 140.42 43.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 15.7 m -54.69 158.59 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.364 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.656 HD11 ' O ' ' A' ' 156' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.825 0.345 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.455 HG21 ' HG3' ' A' ' 147' ' ' LYS . 30.4 mt -113.73 155.02 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.075 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 27.4 p -112.89 155.53 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 10.2 t -69.08 126.36 29.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -58.45 -27.64 64.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.671 HG11 ' CE1' ' A' ' 152' ' ' HIS . 30.4 t -57.54 118.16 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.054 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -54.08 -65.4 0.58 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -71.09 65.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 15.1 t -158.63 -66.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.917 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 58.96 28.28 63.37 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.319 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -72.87 168.24 19.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.937 0.399 . . . . 0.0 111.129 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.03 129.48 56.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.797 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.443 HD12 ' HB ' ' A' ' 125' ' ' ILE . 27.3 mt -96.56 40.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 91.9 p -96.64 -31.73 12.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -76.91 -31.67 56.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 19.6 m -64.56 179.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.279 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm -120.53 -78.34 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.94 -175.4 3.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 2.0 t80 69.09 -66.64 0.24 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -73.68 -29.36 62.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.44 37.42 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.938 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -117.05 -40.04 3.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.788 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -119.94 27.44 8.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.455 ' HG3' HG21 ' A' ' 125' ' ' ILE . 0.5 OUTLIER 57.63 93.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.084 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.0 p 179.29 146.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.997 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 16.9 p -93.47 178.04 5.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.744 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -69.64 -29.12 66.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.558 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 31.7 mm -62.44 -58.6 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.349 . . . . 0.0 111.435 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.671 ' CE1' HG11 ' A' ' 129' ' ' VAL . 52.4 m80 -78.55 -2.23 37.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.576 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 19.2 p -63.35 -36.46 83.78 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.955 0.407 . . . . 0.0 110.946 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.64 31.35 4.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -88.3 148.73 24.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.068 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 3.1 p -73.31 -31.0 63.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.149 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.2 158.15 44.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -165.83 129.82 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.23 99.96 12.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.823 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 129' ' ' VAL . 21.1 t -121.73 108.97 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.065 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 92.95 -47.97 2.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 169.77 -32.63 0.17 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.462 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 4.5 mt -106.67 139.81 26.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 3.7 mmt -60.85 157.24 15.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -165.94 179.96 5.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.26 142.39 45.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.432 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 66.1 t80 -91.93 106.24 18.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 10.8 t -72.95 154.48 40.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -93.35 -50.53 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.62 -32.16 71.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.99 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 33.7 m -95.74 -31.01 13.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 2.6 m 61.62 41.47 12.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -147.78 148.22 30.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.432 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 3.7 m-85 -70.83 101.28 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -89.48 130.76 35.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 11.4 p -50.87 140.31 5.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.344 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 13.1 tp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.005 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.849 0.357 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.57 HG21 ' HG2' ' A' ' 147' ' ' LYS . 29.7 mt -125.33 136.43 60.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 36.1 m -94.33 150.17 20.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 8.7 t -59.14 127.73 33.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -57.44 -32.85 67.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.953 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.729 HG21 ' CG ' ' A' ' 152' ' ' HIS . 43.2 t -55.18 115.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -46.67 -67.86 0.24 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.407 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.1 65.56 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 8.9 t -167.56 111.99 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.059 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -100.84 44.69 1.53 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.252 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -88.08 161.28 17.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 111.191 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -124.61 130.8 53.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.79 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.591 HD13 ' HA ' ' A' ' 144' ' ' ARG . 32.6 mt -97.55 38.33 1.29 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.7 t -98.08 -30.95 12.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.44 -30.82 29.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 20.5 m -59.15 176.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.133 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.68 -78.75 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -137.86 -178.52 5.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 16.0 t80 69.02 -66.51 0.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -87.06 55.36 3.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.591 ' HA ' HD13 ' A' ' 136' ' ' LEU . 3.5 tmm_? -156.53 -64.6 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.813 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.86 -31.6 71.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -81.62 -12.3 58.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.268 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.57 ' HG2' HG21 ' A' ' 125' ' ' ILE . 13.1 mttt 67.46 79.78 0.22 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.859 0.362 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.504 HG11 ' CE1' ' A' ' 167' ' ' PHE . 11.1 p 179.07 149.72 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 17.6 p -96.9 169.86 9.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.806 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.8 -24.87 66.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.741 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 23.0 mm -68.71 -65.89 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.694 0.283 . . . . 0.0 111.466 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.729 ' CG ' HG21 ' A' ' 129' ' ' VAL . 51.3 m80 -67.71 -12.25 60.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.638 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 53.5 p -57.79 -28.74 64.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.807 0.337 . . . . 0.0 110.973 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -147.4 34.52 0.87 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -86.37 170.92 11.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.97 -48.02 55.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 75.1 p -141.43 163.7 32.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -157.71 132.44 8.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.11 113.19 24.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.973 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 41.3 t -129.25 97.07 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.018 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 90.75 -48.47 3.05 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.529 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 175.63 -35.32 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 9.2 mt -101.21 131.73 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.738 0.304 . . . . 0.0 111.046 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.705 ' HB3' HD21 ' A' ' 177' ' ' LEU . 3.3 mtt -62.25 158.69 16.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . 0.447 ' CA ' HD23 ' A' ' 177' ' ' LEU . 0.8 OUTLIER -168.03 169.31 11.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 -117.35 -176.95 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.504 ' CE1' HG11 ' A' ' 148' ' ' VAL . 51.7 t80 -122.08 129.8 52.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.33 151.69 21.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.88 -42.73 7.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -84.04 -34.39 24.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.958 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.79 -27.45 23.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.028 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 23.6 m 64.17 170.93 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 62.09 159.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -74.3 135.0 42.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -131.44 134.82 46.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.8 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 21.3 t -56.88 145.94 6.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.705 HD21 ' HB3' ' A' ' 164' ' ' MET . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.816 0.341 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.599 HD12 ' HG3' ' A' ' 144' ' ' ARG . 25.4 mt -132.44 132.36 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.158 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 21.5 p -85.51 153.45 22.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 35.2 t -63.63 130.05 42.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.779 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -57.05 -29.98 63.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.976 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.833 HG11 ' CE1' ' A' ' 152' ' ' HIS . 26.1 t -59.55 122.13 8.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.082 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -57.96 -59.34 5.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.92 64.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 5.0 t -153.49 -67.03 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 63.44 30.03 76.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -84.21 -177.44 6.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.778 0.323 . . . . 0.0 111.133 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -130.32 142.65 50.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 27.2 mt -118.06 44.87 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.9 m -95.03 -30.79 13.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -79.07 -31.17 44.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 31.6 m -59.66 -179.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -128.28 -78.16 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.53 175.32 9.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . 0.413 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 1.2 t80 59.06 30.26 20.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 8.6 m80 -165.91 -48.1 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.599 ' HG3' HD12 ' A' ' 125' ' ' ILE . 0.0 OUTLIER -68.64 -50.81 48.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -48.72 80.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -71.56 -13.79 61.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.314 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.544 ' HG2' HG21 ' A' ' 125' ' ' ILE . 10.9 mttm 61.99 78.87 0.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.893 0.378 . . . . 0.0 110.925 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.8 p -178.9 141.24 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 18.2 p -74.46 -166.07 0.4 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.53 -31.66 19.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.944 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 2.6 mp -60.05 -72.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.111 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.833 ' CE1' HG11 ' A' ' 129' ' ' VAL . 52.8 m80 -57.41 -23.16 47.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.16 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.22 -25.88 49.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.866 0.365 . . . . 0.0 111.003 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -147.72 30.9 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.757 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -84.28 -173.08 4.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.253 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.41 -54.13 3.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.2 p -136.08 121.03 18.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.181 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -101.97 -169.72 1.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.525 ' H ' HG13 ' A' ' 129' ' ' VAL . 0.4 OUTLIER -152.27 93.55 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.881 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.744 HG22 ' HA ' ' A' ' 129' ' ' VAL . 25.4 t -130.94 123.83 54.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.023 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 71.53 28.38 69.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.458 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 69.22 26.4 74.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.52 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 24.9 mt -148.8 136.57 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.836 0.351 . . . . 0.0 111.004 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.4 158.67 33.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -170.38 -177.81 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -148.22 136.92 21.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 168' ' ' CYS . 17.6 t80 -75.64 148.34 38.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' CYS . . . . . 0.443 ' N ' ' CD1' ' A' ' 167' ' ' PHE . 3.8 t -132.55 144.65 50.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -85.96 -36.32 19.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -74.86 -44.24 50.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . 0.439 ' HB3' ' CD2' ' A' ' 175' ' ' HIS . 10.9 m -85.52 -26.87 25.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 63.74 159.18 0.09 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.767 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 61.33 160.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -61.95 149.76 39.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . 0.439 ' CD2' ' HB3' ' A' ' 171' ' ' CYS . 17.8 m-70 -148.14 124.74 11.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 11.4 p -54.89 152.48 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.271 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 38.5 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.767 0.317 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.692 ' O ' HD12 ' A' ' 136' ' ' LEU . 22.7 mt -132.75 117.29 29.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 22.0 m -72.56 158.74 35.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.009 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . 0.439 ' SG ' HG23 ' A' ' 129' ' ' VAL . 24.7 t -57.0 125.7 23.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.978 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -58.59 -26.17 63.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.678 HG11 ' CE1' ' A' ' 152' ' ' HIS . 46.9 t -55.99 136.27 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 0.0 110.979 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.21 -77.47 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.195 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -70.19 65.97 0.28 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 4.3 t -172.49 100.47 0.15 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -96.84 30.41 8.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.392 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.11 146.75 46.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 111.179 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -109.24 115.0 29.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 125' ' ' ILE . 16.1 mt -87.98 54.96 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.9 p -97.18 -29.95 13.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.35 39.03 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 6.1 m -106.3 173.34 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.75 -78.31 0.15 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.018 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -168.04 -42.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . 0.425 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 7.8 t80 -76.11 61.07 1.52 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.425 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 2.5 m170 -174.37 -41.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.715 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.59 ' CG ' HD12 ' A' ' 125' ' ' ILE . 9.6 ttp180 -68.46 -51.44 43.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.85 -31.25 64.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -86.08 -13.13 48.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.243 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.638 ' HG3' HG21 ' A' ' 125' ' ' ILE . 0.0 OUTLIER 61.81 55.55 2.61 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.892 0.377 . . . . 0.0 110.861 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.6 p -156.06 150.78 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 22.6 p -88.1 -170.66 3.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.001 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.22 -34.09 49.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.062 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 2.6 mp -59.65 -72.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.042 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.678 ' CE1' HG11 ' A' ' 129' ' ' VAL . 45.4 m80 -57.18 -26.61 60.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.053 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.23 -30.23 66.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.926 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.73 35.99 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -95.53 -171.54 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.035 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 82.1 p -106.5 -35.92 6.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.1 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.87 147.68 48.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.094 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -157.21 140.78 15.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 159' ' ' LEU . 0.3 OUTLIER -96.93 106.97 19.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.23 124.78 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 63.77 38.19 95.8 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.515 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 64.68 26.61 71.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 164' ' ' MET . 31.4 mt -147.38 159.09 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 111.136 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.635 ' HB3' HD11 ' A' ' 177' ' ' LEU . 1.1 mmt -94.94 140.54 29.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.721 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -161.81 -178.01 6.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -140.35 139.02 35.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.418 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 42.3 t80 -79.79 127.01 31.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 4.6 p -114.4 132.1 56.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -64.13 -30.87 71.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.65 -75.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.81 -26.93 63.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.07 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.74 31.27 14.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -138.62 143.94 39.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 1.7 m-85 -68.9 96.89 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -103.33 144.49 31.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 5.5 m -51.74 176.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.278 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.635 HD11 ' HB3' ' A' ' 164' ' ' MET . 2.9 mt . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 120.934 0.397 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.579 HD12 ' HG2' ' A' ' 144' ' ' ARG . 17.8 mt -108.6 153.73 10.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.044 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.401 ' N ' HG22 ' A' ' 125' ' ' ILE . 1.3 m -114.53 153.52 29.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 44.4 t -67.97 125.46 26.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -59.05 -29.65 67.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.795 HG11 ' NE2' ' A' ' 152' ' ' HIS . 30.6 t -58.69 120.7 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.75 155.73 18.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 60.72 29.34 18.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 17.7 t -137.11 103.41 5.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -92.29 46.91 2.61 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -85.27 108.84 17.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.329 . . . . 0.0 111.122 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -75.96 127.73 33.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 46.0 mt -96.39 41.78 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 29.6 t -99.28 -34.66 10.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -77.68 -30.74 52.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . 0.509 HG21 ' O ' ' A' ' 143' ' ' HIS . 30.4 m -58.96 173.15 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -111.59 -77.19 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.47 179.0 6.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.773 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 9.8 t80 69.33 -66.0 0.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.509 ' O ' HG21 ' A' ' 139' ' ' VAL . 29.1 m80 -89.21 51.27 2.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.579 ' HG2' HD12 ' A' ' 125' ' ' ILE . 4.1 tmt_? -150.54 -56.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -71.11 -34.54 71.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.698 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -80.57 -14.1 58.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.2 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 7.2 mttm 64.6 80.49 0.23 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.775 0.321 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 148' ' ' VAL . 10.8 p -179.57 124.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.7 p -58.41 -166.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.802 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -88.75 -29.21 19.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.153 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 39.5 mm -61.58 -70.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.361 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.795 ' NE2' HG11 ' A' ' 129' ' ' VAL . 51.8 m80 -60.68 -24.32 65.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.301 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 6.0 t -55.89 -29.58 60.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.029 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.66 32.49 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -100.4 167.29 10.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 45.0 p -94.04 -27.89 16.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.03 150.11 50.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.16 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -166.57 143.45 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.21 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.07 111.71 24.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.441 HG22 ' HA ' ' A' ' 129' ' ' VAL . 17.2 t -131.63 102.18 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 93.11 -48.02 2.44 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 169.64 -32.6 0.17 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.412 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 3.6 mt -100.83 135.56 36.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.8 0.333 . . . . 0.0 111.07 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.597 ' HB3' HD11 ' A' ' 177' ' ' LEU . 0.6 OUTLIER -60.34 164.09 4.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.6 178.66 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . 0.57 ' HD2' HD23 ' A' ' 177' ' ' LEU . 0.2 OUTLIER -144.91 116.53 8.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.433 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 53.0 t80 -72.68 126.22 29.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.26 -178.36 3.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -101.73 -47.54 4.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -82.0 -48.5 11.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.81 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 91.7 m -59.96 -36.93 78.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 2.4 m 60.85 165.95 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 62.18 150.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 4.3 m-85 -73.46 105.45 4.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -108.19 132.91 53.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.012 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 16.5 m -52.66 -178.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.243 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.597 HD11 ' HB3' ' A' ' 164' ' ' MET . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.049 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.788 0.328 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 126' ' ' CYS . 18.9 mm -101.81 156.35 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.42 ' N ' HG22 ' A' ' 125' ' ' ILE . 5.0 p -125.04 151.07 46.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 10.1 t -69.37 124.4 23.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -59.05 -25.96 64.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.798 HG11 ' CE1' ' A' ' 152' ' ' HIS . 39.2 t -57.36 124.43 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.133 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -58.36 -67.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.072 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -70.37 65.65 0.29 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.982 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 9.8 t -155.84 -66.87 0.12 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 59.56 28.26 64.87 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.485 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -73.47 173.62 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -119.74 139.98 51.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 55.7 mt -115.51 48.32 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 27.7 t -97.49 -28.92 13.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.0 34.78 1.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 4.1 m -112.16 179.38 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.196 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -95.09 -69.49 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -174.18 -38.69 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.006 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -50.49 -27.54 6.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.258 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -107.9 -29.79 8.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -53.35 58.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -71.49 -44.08 65.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.99 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -59.11 -21.72 59.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 65.71 71.28 0.43 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.997 0.427 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.546 HG11 ' CE1' ' A' ' 167' ' ' PHE . 8.7 p 179.17 155.26 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . 0.432 ' N ' HG22 ' A' ' 148' ' ' VAL . 20.8 p -89.53 179.32 6.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.841 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -71.11 -25.9 62.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.433 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 32.4 mm -66.6 -69.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.468 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.798 ' CE1' HG11 ' A' ' 129' ' ' VAL . 49.6 m80 -62.71 -28.54 70.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.202 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 13.2 t -58.52 -31.52 67.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -125.67 32.97 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -101.53 170.9 7.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.62 -30.84 18.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.073 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 3.5 p -141.01 167.13 22.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.095 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -161.84 177.83 9.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.02 99.68 4.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.586 HG21 ' CD2' ' A' ' 174' ' ' PHE . 12.7 t -131.13 125.58 57.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 68.14 34.44 81.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.519 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 65.17 28.1 73.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.518 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 164' ' ' MET . 33.7 mt -146.39 158.75 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.72 ' HB3' HD13 ' A' ' 177' ' ' LEU . 0.2 OUTLIER -89.15 154.86 19.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.756 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . 0.669 ' HA ' HD12 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -168.28 -179.09 3.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.905 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -149.71 131.5 15.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.546 ' CE1' HG11 ' A' ' 148' ' ' VAL . 3.0 t80 -64.53 112.54 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.936 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.45 -9.81 59.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.334 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 65.35 -75.85 0.05 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -54.82 40.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 24.1 m -65.76 -25.34 67.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.023 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.64 165.54 0.18 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.27 144.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.586 ' CD2' HG21 ' A' ' 160' ' ' VAL . 16.4 m-85 -67.21 124.13 22.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -110.11 127.48 54.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 11.2 p -58.69 143.55 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.175 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.72 HD13 ' HB3' ' A' ' 164' ' ' MET . 1.8 mp . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.885 0.374 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.747 HG21 ' HG2' ' A' ' 147' ' ' LYS . 28.6 mt -135.86 116.79 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.182 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 35.1 m -63.95 157.91 23.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . 0.483 ' SG ' HG23 ' A' ' 129' ' ' VAL . 24.8 t -58.05 146.9 31.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -96.6 34.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.851 HG11 ' NE2' ' A' ' 152' ' ' HIS . 46.9 t -117.74 134.68 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -58.13 139.68 54.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 63.44 30.52 15.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.031 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 9.0 t -146.0 82.51 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.934 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -92.94 46.08 2.48 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -75.71 118.11 18.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.34 . . . . 0.0 111.167 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -71.46 127.13 31.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.78 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 125' ' ' ILE . 84.5 mt -92.69 47.9 1.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.54 -22.32 17.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.017 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -95.46 35.06 1.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.066 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 7.3 m -127.86 170.79 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.084 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -115.36 -38.49 3.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.54 -178.08 0.72 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . 0.408 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 3.0 t80 58.81 27.02 15.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.011 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 17.4 m170 -161.86 -49.24 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.494 ' O ' HD12 ' A' ' 125' ' ' ILE . 1.6 tmm_? -75.41 -37.86 60.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -69.39 -32.72 71.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -96.55 -11.15 25.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.747 ' HG2' HG21 ' A' ' 125' ' ' ILE . 30.8 mttt 65.68 78.37 0.27 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.94 0.4 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.529 HG11 ' CE2' ' A' ' 167' ' ' PHE . 10.6 p -174.8 135.65 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 22.7 p -73.91 -169.51 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.87 -28.88 32.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.247 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 37.4 mm -63.79 -69.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.226 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.851 ' NE2' HG11 ' A' ' 129' ' ' VAL . 50.6 m80 -60.03 -27.82 67.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.128 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.1 t -58.63 -30.29 67.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -131.07 36.74 3.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.813 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -99.27 -174.89 2.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.74 -34.45 7.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.2 p -139.81 105.65 5.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -108.89 133.01 53.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.644 ' O ' HG13 ' A' ' 129' ' ' VAL . 0.2 OUTLIER -85.85 123.98 31.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 19.1 t -152.35 111.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 74.27 32.12 58.51 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 77.42 2.71 80.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.955 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 164' ' ' MET . 5.1 mt -128.73 158.53 41.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.805 0.336 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.485 ' N ' HG22 ' A' ' 163' ' ' ILE . 7.1 mtt -92.4 168.39 11.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.17 178.51 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -136.11 125.46 24.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.529 ' CE2' HG11 ' A' ' 148' ' ' VAL . 42.9 t80 -62.67 116.89 5.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.3 131.72 38.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.811 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -83.07 -30.38 28.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -83.1 -54.09 5.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -77.62 -20.41 53.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.195 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 15.0 m 65.87 163.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 110.922 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 49.2 mtm180 62.0 166.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -69.23 155.64 40.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -144.28 118.52 9.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.009 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 177' ' ' LEU . 11.9 p -54.46 154.96 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.263 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.422 ' N ' HG22 ' A' ' 176' ' ' VAL . 30.5 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.839 0.352 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.75 HD12 ' HG2' ' A' ' 144' ' ' ARG . 25.2 mt -103.44 155.75 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.424 ' N ' HG22 ' A' ' 125' ' ' ILE . 10.3 m -108.17 156.68 19.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . 0.431 ' SG ' HG23 ' A' ' 129' ' ' VAL . 21.5 t -63.73 125.63 24.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -57.51 -25.4 59.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.785 ' HA ' HG22 ' A' ' 160' ' ' VAL . 42.3 t -58.76 135.57 23.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -76.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -69.41 67.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.898 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 4.7 t -171.13 103.98 0.22 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -97.58 27.79 17.17 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.411 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.35 141.34 57.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.774 0.321 . . . . 0.0 111.182 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.6 114.7 29.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.5 mt -85.14 57.19 4.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 8.4 t -110.43 -33.3 6.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.33 -31.54 64.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.838 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 31.0 m -63.88 176.72 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -101.46 -76.95 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -148.06 -169.8 3.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 9.1 t80 69.08 -66.89 0.23 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -66.91 -33.01 74.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.75 ' HG2' HD12 ' A' ' 125' ' ' ILE . 13.4 ttm-85 -71.41 -49.32 43.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -59.77 -36.21 76.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -75.77 -17.1 60.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.184 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 36.7 mttp 66.03 44.03 2.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.898 0.38 . . . . 0.0 110.799 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.0 p -147.78 141.79 19.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.016 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 21.5 p -79.24 -176.31 5.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.1 -28.25 61.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.199 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 35.3 mm -64.12 -70.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.318 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.694 ' CG ' HG21 ' A' ' 129' ' ' VAL . 50.8 m80 -62.22 -17.99 59.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.31 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.27 -55.84 21.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.965 0.412 . . . . 0.0 111.132 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.84 37.58 3.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.043 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -96.55 175.44 6.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.226 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 6.4 m -107.86 -29.15 9.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 1.8 p -125.35 126.28 44.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -141.75 125.32 16.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.28 103.09 13.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.785 HG22 ' HA ' ' A' ' 129' ' ' VAL . 15.2 t -138.22 136.14 44.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 58.96 29.09 64.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.523 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 68.76 22.13 75.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.559 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 19.2 mt -150.77 133.36 6.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.787 0.327 . . . . 0.0 111.012 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 1.3 mtt -65.8 145.71 55.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -162.51 178.87 8.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . 0.4 ' HB3' ' NH1' ' A' ' 166' ' ' ARG . 6.9 mtp-105 -125.94 165.35 18.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.807 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -119.6 111.64 18.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 9.0 t -99.8 129.17 45.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -63.4 -33.48 75.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -72.79 -43.07 63.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 86.2 m -68.73 -29.88 68.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.63 34.79 17.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.72 158.25 3.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -75.09 134.36 41.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -135.15 139.76 44.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 5.4 m -50.76 178.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.454 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 8.3 mt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.96 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.848 0.356 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 126' ' ' CYS . 30.6 mt -137.13 154.49 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.404 ' N ' HG22 ' A' ' 125' ' ' ILE . 1.8 m -106.09 162.09 13.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . 0.441 ' SG ' HG23 ' A' ' 129' ' ' VAL . 14.8 t -60.01 144.23 49.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -82.1 -24.88 34.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.712 HG21 ' CG ' ' A' ' 152' ' ' HIS . 39.8 t -54.33 133.68 17.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.17 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -54.85 -75.12 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.201 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -69.79 65.96 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 8.6 t -169.16 127.62 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.0 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -123.07 42.39 1.61 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.356 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -83.17 172.31 12.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 111.174 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -119.01 166.0 13.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.2 mt -138.26 32.29 2.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 26.3 p -87.48 -31.48 19.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -74.42 -30.86 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 30.7 m -70.09 176.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.164 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -115.17 -77.83 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -132.68 171.97 13.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . 0.4 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 1.2 t80 60.21 33.05 21.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.412 ' CE1' ' HG2' ' A' ' 150' ' ' GLU . 8.5 m170 -164.17 -44.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -82.9 -53.14 6.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.26 -31.82 71.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . 0.409 ' CE1' ' HB3' ' A' ' 172' ' ' SER . 49.6 m170 -85.36 -13.33 49.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.298 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.92 80.72 0.22 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.861 0.362 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 9.2 p -179.84 130.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 30.0 p -67.82 -172.13 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.412 ' HG2' ' CE1' ' A' ' 143' ' ' HIS . 1.0 OUTLIER -84.93 8.32 18.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.857 -179.612 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 38.1 mm -104.11 -67.08 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.712 ' CG ' HG21 ' A' ' 129' ' ' VAL . 49.3 m80 -62.3 -21.24 65.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.38 -27.83 64.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.014 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -139.14 31.54 2.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.813 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -90.82 -173.9 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -100.65 -41.9 6.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.219 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 67.5 p -131.42 133.25 45.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -134.26 116.64 15.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.93 102.76 4.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.002 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 4.4 t -134.45 115.9 20.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 69.06 36.04 79.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.473 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 69.95 25.59 75.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.561 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.484 HG22 ' N ' ' A' ' 164' ' ' MET . 22.0 mt -150.82 158.83 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 0.0 111.04 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.484 ' N ' HG22 ' A' ' 163' ' ' ILE . 12.3 mtt -99.35 147.87 24.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . 0.424 ' HG3' ' CD1' ' A' ' 174' ' ' PHE . 0.1 OUTLIER -149.68 -178.79 6.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.975 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 35.5 ttt-85 -138.62 124.67 20.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -66.93 112.58 4.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.9 151.63 23.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.98 -47.02 21.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -69.17 -41.78 76.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 15.5 m -72.48 -30.25 64.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . 0.409 ' HB3' ' CE1' ' A' ' 146' ' ' HIS . 69.1 m 61.9 30.12 18.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -177.19 161.06 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . 0.424 ' CD1' ' HG3' ' A' ' 165' ' ' GLN . 54.6 m-85 -60.11 156.77 14.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . 0.401 ' CD2' ' O ' ' A' ' 174' ' ' PHE . 30.3 m-70 -164.03 41.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 177' ' ' LEU . 22.0 t 61.0 155.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.426 ' N ' HG12 ' A' ' 176' ' ' VAL . 92.7 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.792 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.941 0.4 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.639 ' O ' HD12 ' A' ' 136' ' ' LEU . 30.4 mt -142.84 99.27 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.092 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.07 158.99 6.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . 0.433 ' SG ' HG23 ' A' ' 129' ' ' VAL . 8.8 t -58.66 145.86 38.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.816 ' O ' HG13 ' A' ' 160' ' ' VAL . 16.7 pt20 -96.73 24.88 5.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.058 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.549 ' HA ' HG22 ' A' ' 160' ' ' VAL . 24.6 t -109.23 148.26 13.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -72.58 145.6 47.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.038 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 62.39 30.88 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 16.8 t -144.78 105.82 4.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.886 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -100.06 34.15 5.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.388 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.18 141.55 53.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.843 0.354 . . . . 0.0 111.063 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -104.37 119.66 39.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 125' ' ' ILE . 33.7 mt -99.53 58.28 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 35.4 t -106.48 -45.41 4.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -71.14 -27.9 63.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 25.7 m -56.39 179.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.19 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -96.12 -75.8 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.985 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -157.95 -43.62 0.06 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -47.7 -42.77 25.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.297 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.536 ' O ' HD22 ' A' ' 136' ' ' LEU . 32.5 m170 -106.09 40.23 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.437 ' HA ' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -142.87 -48.86 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -63.11 -31.9 73.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . 0.448 ' HB2' HG12 ' A' ' 148' ' ' VAL . 38.1 m170 -83.84 -3.19 57.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.386 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.622 ' HG3' HG21 ' A' ' 125' ' ' ILE . 0.4 OUTLIER 61.2 28.09 17.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.718 0.294 . . . . 0.0 111.126 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.448 HG12 ' HB2' ' A' ' 146' ' ' HIS . 12.3 p -128.38 142.6 43.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.2 p -83.7 -171.48 3.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -75.45 -33.45 60.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.043 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.483 ' O ' ' HB2' ' A' ' 155' ' ' ALA . 50.2 mm -61.94 -42.84 96.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.277 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -95.46 26.53 3.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.188 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 34.1 t -104.71 -31.56 9.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.727 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.0 29.37 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 151' ' ' ILE . . . -91.96 159.25 15.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.072 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.705 ' O ' HG23 ' A' ' 157' ' ' THR . 31.3 p -97.26 24.15 6.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.296 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 156' ' ' THR . 0.2 OUTLIER -179.06 135.49 0.13 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.042 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -150.97 135.32 16.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.405 ' O ' HG13 ' A' ' 129' ' ' VAL . 0.3 OUTLIER -105.0 100.77 10.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.995 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.816 HG13 ' O ' ' A' ' 128' ' ' GLN . 39.0 t -127.64 132.33 69.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.986 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 62.63 28.39 71.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.506 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 72.12 31.09 64.39 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.535 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 164' ' ' MET . 25.4 mt -147.87 158.94 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.486 ' N ' HG22 ' A' ' 163' ' ' ILE . 6.3 mmt -93.46 133.89 36.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.21 -178.75 6.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.057 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -146.31 136.09 23.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.801 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -84.6 143.32 29.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.62 163.71 24.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -97.58 -53.67 3.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -63.01 -40.92 99.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 56.1 m -84.25 -31.15 25.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 11.8 t 61.1 167.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 60.73 158.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.76 131.31 44.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -122.84 131.52 53.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.828 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 14.1 m -49.59 164.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.534 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.831 0.348 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.48 HG21 ' HG2' ' A' ' 147' ' ' LYS . 20.0 mt -100.89 156.74 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.074 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.426 ' N ' HG22 ' A' ' 125' ' ' ILE . 8.0 p -109.22 159.54 16.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 17.3 t -65.06 139.53 58.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -75.98 -29.97 58.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.581 HG13 ' O ' ' A' ' 159' ' ' LEU . 24.2 t -59.24 141.97 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.134 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.93 156.33 37.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.825 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 61.72 25.71 15.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 12.8 t -137.67 104.12 5.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.866 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -96.64 30.79 8.29 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.449 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.31 132.27 49.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 111.142 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -91.22 120.52 32.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 18.7 mt -87.98 54.3 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.795 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 87.8 p -107.3 -31.82 8.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.92 -33.1 68.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.963 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 10.3 m -61.6 170.08 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -111.17 -37.92 5.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.054 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.9 -174.84 0.69 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 2.8 t80 68.55 -67.51 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.956 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 29.5 m80 -64.92 -30.33 71.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -27.1 22.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.068 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -45.25 83.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -95.93 15.23 21.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.489 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.48 ' HG2' HG21 ' A' ' 125' ' ' ILE . 9.0 mtmt 50.2 86.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.908 0.385 . . . . 0.0 111.192 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.2 p -178.63 136.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.046 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 20.8 p -72.24 -171.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.721 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -82.62 -27.95 31.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.228 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 37.0 mm -62.29 -70.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.223 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -59.85 -25.0 64.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.18 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 14.4 t -56.21 -44.89 79.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.059 0.457 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -118.79 36.84 4.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.648 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -100.12 -179.91 4.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.057 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.72 -48.16 4.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 10.4 p -120.29 139.29 52.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.236 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -142.59 148.43 37.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.581 ' O ' HG13 ' A' ' 129' ' ' VAL . 0.2 OUTLIER -108.62 109.21 20.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 17.7 t -129.3 100.06 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.161 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 93.77 -45.38 2.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.467 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 165.39 -30.17 0.21 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.416 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 3.9 mt -99.1 135.25 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.361 . . . . 0.0 111.026 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.714 ' HB3' HD21 ' A' ' 177' ' ' LEU . 0.1 OUTLIER -65.14 146.32 55.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.955 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -154.97 177.12 11.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.94 128.6 30.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.79 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.433 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 61.4 t80 -75.85 128.18 34.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -87.13 155.45 20.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -98.56 -46.29 5.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -65.74 -55.81 15.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 59.0 m -74.01 -30.64 62.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.08 69.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.06 149.2 1.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 2.2 m-85 -73.6 147.33 43.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -161.09 137.83 8.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 15.7 m -48.81 146.93 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.152 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.714 HD21 ' HB3' ' A' ' 164' ' ' MET . 3.4 pp -95.98 38.61 1.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -81.66 -30.25 32.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.651 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.43 -20.85 12.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.005 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -51.73 159.28 0.82 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.107 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.966 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.874 0.368 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 27.7 mt -112.34 123.25 67.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.46 146.92 29.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 35.3 t -57.24 136.38 56.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.978 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -58.19 -35.74 72.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.949 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.848 HG21 ' CG ' ' A' ' 152' ' ' HIS . 23.0 t -59.08 124.66 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -64.69 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.052 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -70.04 65.83 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 22.4 t -159.78 -66.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 59.39 33.41 75.95 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.48 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.21 150.95 31.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 0.0 111.171 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -94.2 137.2 33.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.804 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 60.7 mt -112.17 37.76 2.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 42.7 t -95.26 -25.18 16.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.008 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.39 38.31 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.979 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 8.8 m -127.42 170.43 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -98.12 -79.73 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.998 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -138.65 -179.11 5.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 69.41 -65.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -87.42 52.89 2.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -152.19 -61.79 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.727 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -34.29 76.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.621 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 36.8 m170 -78.96 -13.98 59.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.23 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.85 81.39 0.21 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.932 0.396 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.4 p -178.91 133.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 29.4 p -71.57 -172.59 0.8 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -84.89 7.97 19.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.779 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 40.5 mm -104.41 -68.45 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.713 0.292 . . . . 0.0 111.067 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.848 ' CG ' HG21 ' A' ' 129' ' ' VAL . 48.8 m80 -62.78 -24.65 67.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.079 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 24.8 t -56.81 -30.0 63.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.99 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -139.21 35.94 2.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -95.78 -173.78 2.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.063 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.38 -35.28 13.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 1.1 p -140.13 160.69 39.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.165 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.427 ' HB1' HG22 ' A' ' 129' ' ' VAL . . . -161.69 125.58 3.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.96 100.57 11.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.516 HG22 ' HA ' ' A' ' 129' ' ' VAL . 34.3 t -128.91 132.8 67.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.078 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 58.15 37.23 85.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.521 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 63.4 24.51 67.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.539 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 29.8 mt -148.54 140.69 18.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.838 0.351 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.543 ' HB3' HD11 ' A' ' 177' ' ' LEU . 6.5 mmt -80.62 123.71 28.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -140.95 179.16 6.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.796 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -125.58 158.51 34.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.421 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 53.9 t80 -113.11 141.6 46.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' CYS . . . . . 0.402 ' O ' ' CE2' ' A' ' 167' ' ' PHE . 0.5 OUTLIER -113.72 174.9 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -104.37 -31.42 9.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -72.81 -54.6 8.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 28.0 p -86.98 -30.38 21.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 11.8 p 59.09 36.99 24.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -125.74 136.7 53.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 3.2 m-85 -71.38 79.1 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.944 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -83.87 143.37 29.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 6.0 m -51.79 179.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.416 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 164' ' ' MET . 2.4 mt -96.77 30.6 2.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.053 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -96.64 -30.92 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.81 -41.33 14.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -70.52 104.73 2.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.876 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.769 0.318 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.837 HD12 ' HG3' ' A' ' 144' ' ' ARG . 25.0 mt -125.18 155.73 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.432 ' N ' HG22 ' A' ' 125' ' ' ILE . 8.8 t -114.72 160.23 19.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.008 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.52 126.63 29.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -59.65 -30.65 68.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.415 HG21 ' CG ' ' A' ' 152' ' ' HIS . 32.2 t -59.34 148.03 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -90.97 158.95 16.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.866 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 17.3 m120 60.68 25.41 15.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 42.0 t -118.9 -68.57 0.91 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.856 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 66.41 42.92 93.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.483 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.517 ' HB3' ' HB3' ' A' ' 149' ' ' CYS . . . -87.2 127.12 35.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -72.25 149.95 44.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 44.1 mt -128.6 48.01 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.5 m -103.43 -30.98 10.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -89.04 -22.4 22.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.554 HG12 ' OE2' ' A' ' 150' ' ' GLU . 29.9 m -53.26 168.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.373 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -75.44 -78.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -167.63 -42.1 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.088 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -55.93 -33.53 64.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.974 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -99.75 34.45 2.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.837 ' HG3' HD12 ' A' ' 125' ' ' ILE . 2.2 tpp85 -124.58 -63.18 1.2 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -32.57 70.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -75.34 -13.27 60.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.316 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.418 ' HG2' HG21 ' A' ' 125' ' ' ILE . 12.1 mttt 61.49 64.41 1.06 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.883 0.373 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.7 p -164.94 133.82 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.0 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 134' ' ' ALA . 20.0 p -67.56 -167.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.791 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.554 ' OE2' HG12 ' A' ' 139' ' ' VAL . 1.6 mp0 -88.23 -27.96 21.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.237 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 41.7 mm -61.11 -68.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.263 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.415 ' CG ' HG21 ' A' ' 129' ' ' VAL . 52.1 m80 -61.59 -18.22 58.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.469 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 5.3 p -55.52 -31.1 61.8 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.822 0.344 . . . . 0.0 111.094 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -138.1 39.34 2.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -100.93 -176.09 3.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.071 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 6.1 p -112.47 -44.21 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.9 p -112.34 131.81 55.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.109 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 165' ' ' GLN . . . -151.17 131.39 13.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.498 HD13 ' N ' ' A' ' 160' ' ' VAL . 0.2 OUTLIER -92.97 121.32 34.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.498 ' N ' HD13 ' A' ' 159' ' ' LEU . 10.7 t -139.44 91.4 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 94.63 -46.61 2.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 173.93 -34.62 0.11 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.412 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 23.0 mt -99.73 135.86 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.343 . . . . 0.0 111.089 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.18 164.01 7.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . 0.437 ' O ' ' HB3' ' A' ' 158' ' ' ALA . 4.3 pt20 -177.56 176.76 1.23 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.809 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.46 144.41 28.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -71.37 157.73 37.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 73.9 m -127.57 135.26 50.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -72.82 -30.46 64.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.006 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -81.8 -69.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 1.3 t -59.06 -28.02 66.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.012 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 4.2 m 61.49 31.57 18.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.45 160.91 40.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.811 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -80.91 117.71 21.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.787 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -109.33 144.63 37.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 21.2 t -57.8 146.36 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 6.0 tp -75.12 74.25 2.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.819 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -112.11 -36.91 5.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.956 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.31 42.64 2.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -125.21 35.04 4.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.951 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.891 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.833 0.349 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 27.8 mt -127.39 138.87 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 75.9 m -93.16 155.34 17.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.003 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 8.6 t -60.79 129.38 41.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -67.82 -28.66 67.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 159' ' ' LEU . 21.9 t -58.49 141.95 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.175 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -75.47 153.46 37.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 62.93 27.37 15.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 12.2 t -140.14 83.39 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.914 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -83.42 57.55 5.06 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.444 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -96.8 144.23 26.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 111.174 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.01 127.72 46.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.458 HD22 ' O ' ' A' ' 143' ' ' HIS . 35.9 mt -91.49 50.47 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.7 m -106.67 -34.19 7.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.841 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -77.36 -28.55 52.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 29.5 m -57.31 173.13 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.204 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -74.07 0.16 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.71 -41.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -59.26 -30.89 68.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.458 ' O ' HD22 ' A' ' 136' ' ' LEU . 10.7 m170 -98.82 37.62 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -130.4 -64.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -31.42 69.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -69.96 -15.51 63.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.353 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? 65.66 48.67 1.9 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.97 0.414 . . . . 0.0 110.909 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.3 p -156.11 140.54 8.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.978 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.2 p -82.56 -168.84 2.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.836 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -79.2 -33.64 43.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.207 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.723 ' O ' ' HB2' ' A' ' 155' ' ' ALA . 49.3 mm -61.36 -43.67 97.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.385 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.492 ' CG ' HG21 ' A' ' 129' ' ' VAL . 47.7 m80 -93.95 20.8 7.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.301 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 20.4 t -92.42 -31.45 15.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.596 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.49 30.16 0.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.803 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' A' ' 151' ' ' ILE . . . -76.42 168.56 19.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 4.6 p -73.09 -30.38 63.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.064 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -155.98 161.67 40.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.184 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -150.53 157.03 42.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.641 ' O ' HG13 ' A' ' 129' ' ' VAL . 0.2 OUTLIER -116.46 114.69 24.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.005 -179.88 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' A' ' 129' ' ' VAL . 11.2 t -142.76 132.97 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.194 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 56.15 31.81 59.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.631 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 67.26 28.02 73.61 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.545 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 28.2 mt -146.18 137.9 19.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.23 143.85 50.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -167.79 179.28 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -141.01 162.41 35.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -99.8 138.53 36.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.73 148.2 30.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -87.99 -30.73 19.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.97 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -84.62 -32.36 23.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.971 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 13.6 m -86.34 -29.74 22.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 66.5 m 62.15 29.68 17.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -154.21 157.53 38.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.816 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -71.22 136.46 48.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.05 135.53 50.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.756 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 4.8 m -49.17 174.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.442 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 3.0 tp -95.35 40.56 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.01 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -109.78 -31.39 7.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.12 -42.86 11.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.805 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -62.88 152.99 34.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.803 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.544 ' HB2' ' OG ' ' A' ' 137' ' ' SER . . . . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.835 0.35 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.596 ' O ' HD12 ' A' ' 136' ' ' LEU . 4.8 mt -121.62 94.09 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.005 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.22 157.19 11.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.969 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 26.4 t -58.24 133.32 55.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -63.88 -29.88 71.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.954 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.698 HG11 ' NE2' ' A' ' 152' ' ' HIS . 31.8 t -61.54 145.65 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.075 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.32 154.18 35.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 22.0 m120 59.89 30.73 20.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 4.3 t -138.55 103.57 4.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.793 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -96.17 38.21 3.18 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.537 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.82 114.85 7.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 0.0 111.088 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.78 124.25 26.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 125' ' ' ILE . 39.0 mt -107.72 45.11 1.02 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.544 ' OG ' ' HB2' ' A' ' 124' ' ' ALA . 0.8 OUTLIER -92.87 -40.73 10.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -107.22 41.36 1.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 5.1 m -100.28 -179.96 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -82.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 t0 178.39 -43.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -56.77 -29.49 62.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.069 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.4 ' CD2' ' OG ' ' A' ' 153' ' ' SER . 34.4 m170 -90.95 -28.74 17.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.568 ' HG2' HD12 ' A' ' 125' ' ' ILE . 2.1 tmt_? -69.53 -34.34 74.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.003 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.29 -30.47 48.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.996 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . 0.434 ' CE1' ' HB3' ' A' ' 172' ' ' SER . 20.0 m-70 -82.94 -10.79 58.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.37 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 14.9 mttt 63.17 47.67 4.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.891 0.376 . . . . 0.0 110.761 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.484 HG22 ' N ' ' A' ' 149' ' ' CYS . 12.3 p -150.63 159.0 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.015 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . 0.484 ' N ' HG22 ' A' ' 148' ' ' VAL . 20.5 p -90.61 -169.77 2.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.951 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -80.57 -30.89 36.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.02 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 41.7 mm -60.58 -69.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.698 ' NE2' HG11 ' A' ' 129' ' ' VAL . 49.9 m80 -59.7 -22.73 62.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.4 ' OG ' ' CD2' ' A' ' 143' ' ' HIS . 0.3 OUTLIER -54.75 -37.91 66.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.923 0.392 . . . . 0.0 111.074 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.64 -21.42 11.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.161 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.643 ' HB3' ' HA ' ' A' ' 152' ' ' HIS . . . -53.28 163.51 0.57 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.801 0.334 . . . . 0.0 111.256 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.443 HG22 ' HE ' ' A' ' 166' ' ' ARG . 0.2 OUTLIER -96.45 -55.17 3.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 1.4 p -94.68 132.26 39.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -146.98 128.6 15.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.51 88.34 7.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.652 HG22 ' HA ' ' A' ' 129' ' ' VAL . 27.2 t -115.14 114.87 47.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.063 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 89.89 -50.05 3.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.602 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 171.86 -33.34 0.14 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 22.0 mt -110.99 153.6 12.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.731 0.3 . . . . 0.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.38 144.39 49.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.807 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . 0.401 ' HB3' ' HA ' ' A' ' 176' ' ' VAL . 1.9 pt20 -151.9 176.6 11.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.04 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . 0.443 ' HE ' HG22 ' A' ' 156' ' ' THR . 8.4 mtt180 -120.0 168.04 11.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.77 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -125.37 83.79 2.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.7 133.67 54.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -70.11 -42.97 71.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -65.83 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 91.4 m -63.34 -36.24 83.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . 0.434 ' HB3' ' CE1' ' A' ' 146' ' ' HIS . 8.1 m 59.92 70.03 0.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -176.54 133.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -63.4 109.28 1.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -117.84 136.63 53.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.022 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.401 ' HA ' ' HB3' ' A' ' 165' ' ' GLN . 14.7 m -53.86 178.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.386 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 10.7 mt -97.42 28.48 3.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -99.83 31.57 3.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.751 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -164.86 -43.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.832 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 166' ' ' ARG . 32.7 m-85 -59.21 105.2 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.976 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.796 0.332 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.1 mm -101.33 152.48 5.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -121.13 147.74 45.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 16.3 t -57.12 140.54 49.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.767 ' O ' HG13 ' A' ' 160' ' ' VAL . 28.1 pt20 -94.64 40.94 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.601 HG22 HG22 ' A' ' 160' ' ' VAL . 31.1 t -128.63 130.59 68.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.64 150.75 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 35.1 m120 62.43 25.61 15.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 8.8 t -144.95 97.4 3.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.949 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -96.5 29.16 10.74 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.484 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.5 127.22 30.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 111.21 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -89.58 122.76 33.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 76.2 mt -84.9 57.23 4.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.3 m -107.63 -24.46 11.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.97 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -96.69 32.0 2.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.029 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 18.9 m -118.79 170.06 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.117 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.47 -39.52 3.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -174.44 -177.77 1.28 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.016 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . 0.419 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 0.9 OUTLIER 58.54 25.39 13.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.037 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.419 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 21.4 m80 -161.8 -45.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 110.752 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -62.07 -32.81 73.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.25 -41.31 11.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -71.62 -22.28 61.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 1.5 mttp 66.24 75.66 0.33 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.5 p -179.4 134.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.989 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.5 p -73.14 -172.34 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.778 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -77.54 -31.24 53.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.238 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 43.6 mm -63.09 -42.64 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.419 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -96.4 33.72 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.992 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 41.1 t -110.18 -32.7 6.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.754 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -131.67 32.17 4.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -106.35 175.13 5.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.46 -34.94 6.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.34 129.27 53.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 165' ' ' GLN . . . -162.31 123.17 2.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.564 ' O ' HG13 ' A' ' 129' ' ' VAL . 0.2 OUTLIER -88.37 106.64 18.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.767 HG13 ' O ' ' A' ' 128' ' ' GLN . 24.2 t -116.33 97.49 5.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.234 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.42 -46.22 2.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.537 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 172.03 -31.62 0.12 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.603 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 4.8 mt -94.15 139.29 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.944 0.402 . . . . 0.0 111.042 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.646 ' HB3' HD11 ' A' ' 177' ' ' LEU . 7.6 mmt -69.94 117.99 12.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.95 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . 0.531 ' O ' ' HB3' ' A' ' 158' ' ' ALA . 0.0 OUTLIER -147.12 179.79 7.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -136.97 151.24 48.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -71.16 122.85 20.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 2.7 t -88.96 121.85 31.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -67.57 -38.44 84.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -65.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 30.9 t -58.57 -23.41 58.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 16.7 m 65.07 32.5 10.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.809 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 41.1 mtt85 -152.5 172.99 15.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.569 ' CG ' HG21 ' A' ' 160' ' ' VAL . 10.2 m-85 -88.71 120.55 30.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -125.02 146.55 49.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.82 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.411 ' HA ' ' HB3' ' A' ' 165' ' ' GLN . 15.8 m -48.42 171.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.452 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.646 HD11 ' HB3' ' A' ' 164' ' ' MET . 3.7 mt -89.53 51.25 2.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -121.56 130.69 53.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.834 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 73.36 6.47 5.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.526 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -106.79 103.83 13.36 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.81 0.338 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.897 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.865 0.364 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.42 HD12 ' HG2' ' A' ' 144' ' ' ARG . 31.9 mt -108.68 155.21 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.41 ' N ' HG22 ' A' ' 125' ' ' ILE . 21.1 m -118.89 149.48 41.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 24.3 t -59.83 131.32 50.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -63.55 -31.7 72.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.785 HG11 ' CE1' ' A' ' 152' ' ' HIS . 21.0 t -58.22 122.92 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.316 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.55 157.54 32.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 60.58 27.9 17.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 52.3 t -134.26 110.74 9.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -92.19 46.16 2.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.367 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -86.18 99.71 11.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.883 0.373 . . . . 0.0 111.113 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -71.21 132.78 45.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.707 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.738 HD13 ' HA ' ' A' ' 144' ' ' ARG . 67.3 mt -95.49 41.03 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.6 t -109.1 -28.05 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.997 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.58 30.98 2.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 5.6 m -122.32 175.95 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.136 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -106.08 -78.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.29 -179.11 6.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . 0.402 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 0.9 OUTLIER 60.2 30.87 20.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.402 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 13.5 m170 -162.97 -45.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.738 ' HA ' HD13 ' A' ' 136' ' ' LEU . 3.2 tmt_? -76.41 -44.42 36.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.24 -42.53 79.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 64.7 m80 -79.74 -5.68 55.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.499 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt 62.62 75.57 0.4 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.868 0.366 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.745 HG11 ' CE2' ' A' ' 167' ' ' PHE . 9.5 p 179.73 139.35 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 15.2 p -81.05 -177.11 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.819 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.98 -33.5 63.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.336 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 48.7 mm -61.35 -42.52 93.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.495 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.785 ' CE1' HG11 ' A' ' 129' ' ' VAL . 41.6 m80 -95.11 23.46 5.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.171 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 22.7 t -96.5 -30.63 13.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.906 0.384 . . . . 0.0 110.759 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.98 36.29 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -95.87 -179.72 4.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.194 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 3.0 m -89.03 -57.23 2.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.22 176.46 5.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -175.33 130.86 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.42 107.58 19.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.616 HG22 ' HA ' ' A' ' 129' ' ' VAL . 21.8 t -132.37 107.74 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.069 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.54 -50.8 2.97 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.567 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 175.87 -35.04 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.542 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 30.1 mt -107.71 148.69 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.923 0.392 . . . . 0.0 111.1 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.503 ' HB3' HD11 ' A' ' 177' ' ' LEU . 0.3 OUTLIER -72.56 149.66 43.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . 0.432 ' C ' HD21 ' A' ' 177' ' ' LEU . 0.8 OUTLIER -151.77 177.42 10.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . 0.407 ' HB3' ' CD2' ' A' ' 180' ' ' PHE . 35.6 ttt-85 -129.78 132.55 46.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.745 ' CE2' HG11 ' A' ' 148' ' ' VAL . 53.0 t80 -83.99 113.13 20.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.08 140.12 29.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -78.77 -31.81 46.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -71.51 -58.32 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 1.5 t -71.52 -29.21 64.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.967 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 13.5 m 62.5 37.33 13.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -147.36 152.21 37.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -72.38 108.94 5.75 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -112.42 140.86 46.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 9.6 m -55.17 168.63 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.503 HD11 ' HB3' ' A' ' 164' ' ' MET . 5.5 mt -91.44 51.06 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -105.24 -40.98 5.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -90.83 -31.46 16.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.407 ' CD2' ' HB3' ' A' ' 166' ' ' ARG . 70.4 m-85 -70.33 119.83 15.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.967 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.822 0.344 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.6 mt -132.84 122.64 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 62.4 m -76.47 145.14 39.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 35.1 t -55.06 124.95 18.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -57.55 -29.51 64.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 159' ' ' LEU . 20.8 t -62.2 144.66 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.78 156.22 27.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 61.03 28.24 18.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 18.6 t -140.02 80.57 1.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.84 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -78.84 61.01 4.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.474 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -102.41 121.92 43.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.798 0.333 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -82.2 127.99 33.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.471 HD21 ' HA ' ' A' ' 149' ' ' CYS . 44.6 mt -94.55 45.07 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.96 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 31.8 t -97.01 -28.36 14.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -98.27 30.68 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.961 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 7.3 m -110.08 179.14 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.09 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 5.7 mtmm -83.46 -77.3 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -168.64 -42.09 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -57.04 -30.61 64.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.427 ' O ' HD22 ' A' ' 136' ' ' LEU . 32.6 m170 -105.64 31.35 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.18 -59.68 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -32.84 70.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.806 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . 0.404 ' HB2' HG12 ' A' ' 148' ' ' VAL . 35.6 m170 -74.55 -11.7 60.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.257 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt 61.36 41.71 12.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.946 0.403 . . . . 0.0 110.952 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.404 HG12 ' HB2' ' A' ' 146' ' ' HIS . 10.9 p -144.14 139.92 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.981 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . 0.471 ' HA ' HD21 ' A' ' 136' ' ' LEU . 20.9 p -72.71 -168.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -82.42 -33.44 28.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.073 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 2.5 mp -59.73 -72.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.105 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -56.65 -24.72 50.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.1 -29.92 61.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -131.37 36.12 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -100.48 179.87 4.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 7.7 p -109.45 -30.38 7.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 51.5 p -134.34 136.26 43.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.035 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -151.77 150.95 30.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.568 ' O ' HG13 ' A' ' 129' ' ' VAL . 0.1 OUTLIER -104.12 122.71 45.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.426 HG22 ' HA ' ' A' ' 129' ' ' VAL . 20.4 t -141.1 100.97 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 93.87 -42.77 2.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.501 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 165.43 -29.59 0.21 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.408 HG22 ' N ' ' A' ' 164' ' ' MET . 22.6 mt -107.48 154.22 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.931 0.395 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.408 ' N ' HG22 ' A' ' 163' ' ' ILE . 4.3 mmt -77.6 149.67 34.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -161.89 172.71 15.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.9 161.19 25.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.426 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 43.9 t80 -106.57 153.38 22.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.82 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 5.5 t -120.22 160.14 23.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -98.3 -32.87 11.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -84.58 -44.89 13.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -75.26 -32.06 60.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 12.5 p 58.75 40.13 23.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -154.0 141.32 19.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 1.8 m-85 -68.37 128.2 35.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -131.27 146.37 52.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 11.8 m -56.84 147.29 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.261 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 3.0 mt -56.97 -24.32 52.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -55.06 -29.18 56.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.39 30.66 4.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.947 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -133.73 147.36 51.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.839 0.352 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 32.6 mt -100.09 152.25 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.17 154.26 21.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 17.5 t -59.44 136.5 57.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -73.93 -28.77 61.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.747 HG11 ' NE2' ' A' ' 152' ' ' HIS . 22.2 t -56.84 144.56 8.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.188 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.3 154.22 27.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 60.77 29.49 19.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 29.9 t -135.92 112.47 10.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -95.8 28.14 13.63 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.86 127.95 33.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.34 . . . . 0.0 111.152 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -96.8 133.63 41.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 38.7 mt -95.5 42.99 1.09 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.82 -30.6 11.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.923 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -98.09 29.19 3.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.031 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 16.8 m -113.1 164.96 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.0 mtmt -75.0 -69.26 0.48 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.024 0.44 . . . . 0.0 111.076 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -177.53 -38.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -52.17 -28.61 18.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -95.62 -22.35 17.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -96.82 33.3 1.9 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.967 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.92 -44.27 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.042 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -107.19 22.35 16.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.187 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.9 mttt 52.53 79.52 0.11 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.8 p -168.89 144.06 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.06 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.0 p -82.97 -176.48 6.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.969 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -75.47 -28.95 59.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.292 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 38.1 mm -61.76 -68.99 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.199 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.747 ' NE2' HG11 ' A' ' 129' ' ' VAL . 49.8 m80 -60.92 -19.04 60.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.37 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 47.8 t -55.16 -29.75 58.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 111.094 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -143.93 31.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.502 ' HB3' ' HA ' ' A' ' 152' ' ' HIS . . . -98.45 145.24 26.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -58.72 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.1 p -91.99 155.0 18.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -169.93 107.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.079 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.73 86.47 5.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.68 HG22 ' HA ' ' A' ' 129' ' ' VAL . 27.5 t -114.63 104.97 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 94.51 -40.5 2.71 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.585 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 162.14 -28.3 0.27 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 15.7 mt -111.64 150.38 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 111.009 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.52 ' HB3' HD11 ' A' ' 177' ' ' LEU . 10.0 mmt -76.33 138.0 40.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -145.39 176.43 9.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -129.35 131.01 46.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -83.94 101.88 12.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 4.5 t -84.42 123.68 30.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -60.42 -35.07 74.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -60.01 -65.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.798 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 36.1 m -65.8 -27.04 67.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.11 32.61 12.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -148.91 150.8 33.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.772 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -67.83 105.32 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -106.46 137.51 44.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 6.1 m -53.88 178.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.259 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.52 HD11 ' HB3' ' A' ' 164' ' ' MET . 11.5 mt -98.24 31.09 2.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -78.11 -31.34 49.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.811 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 39.7 mp0 -106.15 -31.76 8.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -93.38 102.08 14.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.85 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.834 0.35 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.671 HD12 ' HG2' ' A' ' 144' ' ' ARG . 32.7 mt -123.8 137.65 56.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.039 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 22.2 p -92.85 154.66 18.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 12.3 t -59.41 145.35 43.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.597 ' O ' HG13 ' A' ' 160' ' ' VAL . 20.3 pt20 -97.08 29.65 3.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.859 HG11 ' NE2' ' A' ' 152' ' ' HIS . 57.4 t -119.31 122.35 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.041 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -59.27 155.45 14.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.5 m120 62.32 29.04 17.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 23.1 t -131.38 -68.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 58.73 53.05 49.36 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.519 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -98.88 138.29 36.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.765 0.317 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -89.67 130.27 35.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.001 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.619 HD13 ' HA ' ' A' ' 144' ' ' ARG . 8.0 mt -102.4 34.16 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 79.3 p -94.26 -31.2 14.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -88.65 -20.19 25.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 136' ' ' LEU . 21.9 m -52.88 173.6 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.892 0.377 . . . . 0.0 111.332 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -74.88 -67.51 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.978 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -174.81 -40.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . 0.414 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 14.8 t80 -81.58 59.25 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.414 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 8.8 m170 -166.15 -46.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.784 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.671 ' HG2' HD12 ' A' ' 125' ' ' ILE . 7.0 ttm-85 -65.74 -52.12 53.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.832 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -30.8 68.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -82.76 -6.73 59.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.318 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.42 34.2 18.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.825 0.345 . . . . 0.0 111.073 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.5 p -146.23 137.66 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.021 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 21.7 p -73.05 -173.11 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.6 -29.77 56.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 39.3 mm -62.43 -69.27 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.195 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.859 ' NE2' HG11 ' A' ' 129' ' ' VAL . 50.4 m80 -60.22 -20.25 57.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.309 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -30.17 62.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -132.25 37.55 3.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -107.54 173.89 6.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.656 ' O ' HD11 ' A' ' 177' ' ' LEU . 76.6 p -109.81 -32.18 7.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.52 126.27 51.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.008 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 165' ' ' GLN . . . -148.37 118.96 7.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.064 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.63 107.65 10.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 128' ' ' GLN . 24.7 t -135.19 126.06 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 58.47 33.39 71.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.461 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 69.93 27.51 73.01 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.558 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 27.7 mt -147.52 140.01 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.768 0.318 . . . . 0.0 111.113 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.54 136.55 40.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . 0.645 ' O ' ' HB3' ' A' ' 158' ' ' ALA . 4.8 pt20 -166.85 172.67 10.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . 0.403 ' HD3' ' CG ' ' A' ' 180' ' ' PHE . 11.5 ptm180 -138.74 159.98 40.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.947 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -75.66 164.5 26.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 2.0 t -136.39 113.57 10.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -63.6 -34.62 78.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -73.92 -67.56 0.59 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 58.9 m -61.85 -26.1 67.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 20.5 t 64.76 32.96 10.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.825 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.58 157.06 37.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.81 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.9 138.64 52.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . 0.433 ' HB2' ' CE2' ' A' ' 180' ' ' PHE . 48.2 m-70 -136.49 140.42 43.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 15.7 m -54.69 158.59 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.364 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.656 HD11 ' O ' ' A' ' 156' ' ' THR . 0.9 OUTLIER -69.68 -26.9 64.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.967 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.3 -30.17 59.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.008 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -71.98 -54.3 10.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.837 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.433 ' CE2' ' HB2' ' A' ' 175' ' ' HIS . 16.4 m-85 -78.45 112.86 15.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.843 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.825 0.345 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.455 HG21 ' HG3' ' A' ' 147' ' ' LYS . 30.4 mt -113.73 155.02 15.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.075 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 27.4 p -112.89 155.53 24.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 10.2 t -69.08 126.36 29.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -58.45 -27.64 64.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.671 HG11 ' CE1' ' A' ' 152' ' ' HIS . 30.4 t -57.54 118.16 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.054 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -54.08 -65.4 0.58 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -71.09 65.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 15.1 t -158.63 -66.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.917 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 58.96 28.28 63.37 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.319 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -72.87 168.24 19.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.937 0.399 . . . . 0.0 111.129 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.03 129.48 56.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.797 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.443 HD12 ' HB ' ' A' ' 125' ' ' ILE . 27.3 mt -96.56 40.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 91.9 p -96.64 -31.73 12.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -76.91 -31.67 56.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 19.6 m -64.56 179.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.279 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm -120.53 -78.34 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.94 -175.4 3.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 2.0 t80 69.09 -66.64 0.24 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -73.68 -29.36 62.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.44 37.42 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.938 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -117.05 -40.04 3.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.788 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -119.94 27.44 8.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.455 ' HG3' HG21 ' A' ' 125' ' ' ILE . 0.5 OUTLIER 57.63 93.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.084 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.0 p 179.29 146.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.997 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 16.9 p -93.47 178.04 5.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.744 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -69.64 -29.12 66.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.558 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 31.7 mm -62.44 -58.6 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.349 . . . . 0.0 111.435 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.671 ' CE1' HG11 ' A' ' 129' ' ' VAL . 52.4 m80 -78.55 -2.23 37.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.576 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 19.2 p -63.35 -36.46 83.78 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.955 0.407 . . . . 0.0 110.946 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.64 31.35 4.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -88.3 148.73 24.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.068 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 3.1 p -73.31 -31.0 63.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.149 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.2 158.15 44.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -165.83 129.82 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.23 99.96 12.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.823 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 129' ' ' VAL . 21.1 t -121.73 108.97 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.065 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 92.95 -47.97 2.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 169.77 -32.63 0.17 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.462 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 4.5 mt -106.67 139.81 26.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 3.7 mmt -60.85 157.24 15.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -165.94 179.96 5.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.26 142.39 45.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.432 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 66.1 t80 -91.93 106.24 18.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 10.8 t -72.95 154.48 40.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -93.35 -50.53 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.62 -32.16 71.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.99 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 33.7 m -95.74 -31.01 13.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 2.6 m 61.62 41.47 12.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -147.78 148.22 30.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.432 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 3.7 m-85 -70.83 101.28 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -89.48 130.76 35.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 11.4 p -50.87 140.31 5.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.344 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 13.1 tp -61.54 120.9 11.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -138.16 -70.16 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.04 48.21 1.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.796 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -97.87 34.35 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.969 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.101 -0.952 . . . . 0.0 110.79 -179.941 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.849 0.357 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.57 HG21 ' HG2' ' A' ' 147' ' ' LYS . 29.7 mt -125.33 136.43 60.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 36.1 m -94.33 150.17 20.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 8.7 t -59.14 127.73 33.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -57.44 -32.85 67.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.953 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.729 HG21 ' CG ' ' A' ' 152' ' ' HIS . 43.2 t -55.18 115.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -46.67 -67.86 0.24 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.407 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.1 65.56 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 8.9 t -167.56 111.99 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.059 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -100.84 44.69 1.53 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.252 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -88.08 161.28 17.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 111.191 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -124.61 130.8 53.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.79 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.591 HD13 ' HA ' ' A' ' 144' ' ' ARG . 32.6 mt -97.55 38.33 1.29 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.7 t -98.08 -30.95 12.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.44 -30.82 29.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 20.5 m -59.15 176.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.133 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.68 -78.75 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -137.86 -178.52 5.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 16.0 t80 69.02 -66.51 0.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -87.06 55.36 3.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.591 ' HA ' HD13 ' A' ' 136' ' ' LEU . 3.5 tmm_? -156.53 -64.6 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.813 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.86 -31.6 71.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -81.62 -12.3 58.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.268 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.57 ' HG2' HG21 ' A' ' 125' ' ' ILE . 13.1 mttt 67.46 79.78 0.22 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.859 0.362 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.504 HG11 ' CE1' ' A' ' 167' ' ' PHE . 11.1 p 179.07 149.72 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 17.6 p -96.9 169.86 9.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.806 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.8 -24.87 66.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.741 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 23.0 mm -68.71 -65.89 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.694 0.283 . . . . 0.0 111.466 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.729 ' CG ' HG21 ' A' ' 129' ' ' VAL . 51.3 m80 -67.71 -12.25 60.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.638 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 53.5 p -57.79 -28.74 64.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.807 0.337 . . . . 0.0 110.973 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -147.4 34.52 0.87 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -86.37 170.92 11.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.97 -48.02 55.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 75.1 p -141.43 163.7 32.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -157.71 132.44 8.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.11 113.19 24.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.973 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 41.3 t -129.25 97.07 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.018 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 90.75 -48.47 3.05 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.529 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 175.63 -35.32 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 9.2 mt -101.21 131.73 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.738 0.304 . . . . 0.0 111.046 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.705 ' HB3' HD21 ' A' ' 177' ' ' LEU . 3.3 mtt -62.25 158.69 16.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . 0.447 ' CA ' HD23 ' A' ' 177' ' ' LEU . 0.8 OUTLIER -168.03 169.31 11.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 -117.35 -176.95 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.504 ' CE1' HG11 ' A' ' 148' ' ' VAL . 51.7 t80 -122.08 129.8 52.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.33 151.69 21.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.88 -42.73 7.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -84.04 -34.39 24.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.958 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.79 -27.45 23.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.028 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 23.6 m 64.17 170.93 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 1.1 ttp-105 62.09 159.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -74.3 135.0 42.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -131.44 134.82 46.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.8 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 21.3 t -56.88 145.94 6.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.226 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.705 HD21 ' HB3' ' A' ' 164' ' ' MET . 0.8 OUTLIER -87.17 61.59 6.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.899 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -79.56 -34.6 40.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.819 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -144.67 25.61 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -86.45 107.81 18.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.84 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.816 0.341 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.599 HD12 ' HG3' ' A' ' 144' ' ' ARG . 25.4 mt -132.44 132.36 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.158 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 21.5 p -85.51 153.45 22.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 35.2 t -63.63 130.05 42.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.779 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -57.05 -29.98 63.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.976 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.833 HG11 ' CE1' ' A' ' 152' ' ' HIS . 26.1 t -59.55 122.13 8.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.082 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -57.96 -59.34 5.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.92 64.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 5.0 t -153.49 -67.03 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 63.44 30.03 76.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -84.21 -177.44 6.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.778 0.323 . . . . 0.0 111.133 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -130.32 142.65 50.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 27.2 mt -118.06 44.87 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.9 m -95.03 -30.79 13.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -79.07 -31.17 44.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 31.6 m -59.66 -179.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -128.28 -78.16 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.53 175.32 9.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . 0.413 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 1.2 t80 59.06 30.26 20.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 8.6 m80 -165.91 -48.1 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.599 ' HG3' HD12 ' A' ' 125' ' ' ILE . 0.0 OUTLIER -68.64 -50.81 48.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -48.72 80.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -71.56 -13.79 61.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.314 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.544 ' HG2' HG21 ' A' ' 125' ' ' ILE . 10.9 mttm 61.99 78.87 0.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.893 0.378 . . . . 0.0 110.925 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.8 p -178.9 141.24 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 18.2 p -74.46 -166.07 0.4 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.53 -31.66 19.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.944 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 2.6 mp -60.05 -72.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.111 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.833 ' CE1' HG11 ' A' ' 129' ' ' VAL . 52.8 m80 -57.41 -23.16 47.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.16 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.22 -25.88 49.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.866 0.365 . . . . 0.0 111.003 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -147.72 30.9 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.757 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -84.28 -173.08 4.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.253 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.41 -54.13 3.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.2 p -136.08 121.03 18.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.181 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -101.97 -169.72 1.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.525 ' H ' HG13 ' A' ' 129' ' ' VAL . 0.4 OUTLIER -152.27 93.55 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.881 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.744 HG22 ' HA ' ' A' ' 129' ' ' VAL . 25.4 t -130.94 123.83 54.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.023 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 71.53 28.38 69.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.458 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 69.22 26.4 74.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.52 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 24.9 mt -148.8 136.57 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.836 0.351 . . . . 0.0 111.004 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.4 158.67 33.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -170.38 -177.81 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -148.22 136.92 21.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 168' ' ' CYS . 17.6 t80 -75.64 148.34 38.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' CYS . . . . . 0.443 ' N ' ' CD1' ' A' ' 167' ' ' PHE . 3.8 t -132.55 144.65 50.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -85.96 -36.32 19.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -74.86 -44.24 50.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.439 ' HB3' ' CD2' ' A' ' 175' ' ' HIS . 10.9 m -85.52 -26.87 25.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 63.74 159.18 0.09 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.767 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 61.33 160.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -61.95 149.76 39.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . 0.439 ' CD2' ' HB3' ' A' ' 171' ' ' CYS . 17.8 m-70 -148.14 124.74 11.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.698 HG13 ' HG3' ' A' ' 178' ' ' GLU . 11.4 p -54.89 152.48 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.271 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 38.5 mt -63.09 88.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.698 ' HG3' HG13 ' A' ' 176' ' ' VAL . 5.8 mt-10 -110.86 -33.02 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -157.06 31.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -104.73 112.53 25.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.955 179.919 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.767 0.317 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.692 ' O ' HD12 ' A' ' 136' ' ' LEU . 22.7 mt -132.75 117.29 29.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 22.0 m -72.56 158.74 35.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.009 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . 0.439 ' SG ' HG23 ' A' ' 129' ' ' VAL . 24.7 t -57.0 125.7 23.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.978 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -58.59 -26.17 63.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.678 HG11 ' CE1' ' A' ' 152' ' ' HIS . 46.9 t -55.99 136.27 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 0.0 110.979 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.21 -77.47 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.195 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -70.19 65.97 0.28 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 4.3 t -172.49 100.47 0.15 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -96.84 30.41 8.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.392 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.11 146.75 46.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 111.179 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -109.24 115.0 29.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 125' ' ' ILE . 16.1 mt -87.98 54.96 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.9 p -97.18 -29.95 13.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.35 39.03 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 6.1 m -106.3 173.34 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.75 -78.31 0.15 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.018 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -168.04 -42.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . 0.425 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 7.8 t80 -76.11 61.07 1.52 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.425 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 2.5 m170 -174.37 -41.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.715 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.59 ' CG ' HD12 ' A' ' 125' ' ' ILE . 9.6 ttp180 -68.46 -51.44 43.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.85 -31.25 64.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -86.08 -13.13 48.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.243 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.638 ' HG3' HG21 ' A' ' 125' ' ' ILE . 0.0 OUTLIER 61.81 55.55 2.61 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.892 0.377 . . . . 0.0 110.861 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.6 p -156.06 150.78 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 22.6 p -88.1 -170.66 3.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.001 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.22 -34.09 49.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.062 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 2.6 mp -59.65 -72.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.042 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.678 ' CE1' HG11 ' A' ' 129' ' ' VAL . 45.4 m80 -57.18 -26.61 60.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.053 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.23 -30.23 66.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.926 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.73 35.99 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -95.53 -171.54 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.035 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 82.1 p -106.5 -35.92 6.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.1 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.87 147.68 48.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.094 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -157.21 140.78 15.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 159' ' ' LEU . 0.3 OUTLIER -96.93 106.97 19.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.23 124.78 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 63.77 38.19 95.8 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.515 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 64.68 26.61 71.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 164' ' ' MET . 31.4 mt -147.38 159.09 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 0.0 111.136 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.635 ' HB3' HD11 ' A' ' 177' ' ' LEU . 1.1 mmt -94.94 140.54 29.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.721 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -161.81 -178.01 6.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -140.35 139.02 35.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.418 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 42.3 t80 -79.79 127.01 31.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 4.6 p -114.4 132.1 56.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -64.13 -30.87 71.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.65 -75.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.81 -26.93 63.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.07 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.74 31.27 14.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -138.62 143.94 39.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 1.7 m-85 -68.9 96.89 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -103.33 144.49 31.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 5.5 m -51.74 176.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.278 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.635 HD11 ' HB3' ' A' ' 164' ' ' MET . 2.9 mt -97.96 31.29 2.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -100.7 34.82 2.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.948 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -164.79 -44.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -76.0 130.1 37.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.821 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.918 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 120.934 0.397 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.579 HD12 ' HG2' ' A' ' 144' ' ' ARG . 17.8 mt -108.6 153.73 10.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.044 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.401 ' N ' HG22 ' A' ' 125' ' ' ILE . 1.3 m -114.53 153.52 29.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 44.4 t -67.97 125.46 26.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -59.05 -29.65 67.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.795 HG11 ' NE2' ' A' ' 152' ' ' HIS . 30.6 t -58.69 120.7 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.75 155.73 18.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 60.72 29.34 18.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 17.7 t -137.11 103.41 5.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -92.29 46.91 2.61 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -85.27 108.84 17.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.329 . . . . 0.0 111.122 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -75.96 127.73 33.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 46.0 mt -96.39 41.78 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 29.6 t -99.28 -34.66 10.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -77.68 -30.74 52.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.509 HG21 ' O ' ' A' ' 143' ' ' HIS . 30.4 m -58.96 173.15 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -111.59 -77.19 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.47 179.0 6.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.773 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 9.8 t80 69.33 -66.0 0.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.509 ' O ' HG21 ' A' ' 139' ' ' VAL . 29.1 m80 -89.21 51.27 2.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.579 ' HG2' HD12 ' A' ' 125' ' ' ILE . 4.1 tmt_? -150.54 -56.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -71.11 -34.54 71.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.698 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -80.57 -14.1 58.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.2 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 7.2 mttm 64.6 80.49 0.23 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.775 0.321 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 148' ' ' VAL . 10.8 p -179.57 124.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.7 p -58.41 -166.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.802 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -88.75 -29.21 19.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.153 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 39.5 mm -61.58 -70.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.361 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.795 ' NE2' HG11 ' A' ' 129' ' ' VAL . 51.8 m80 -60.68 -24.32 65.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.301 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 6.0 t -55.89 -29.58 60.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.029 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.66 32.49 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -100.4 167.29 10.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 45.0 p -94.04 -27.89 16.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.03 150.11 50.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.16 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -166.57 143.45 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.21 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.07 111.71 24.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.441 HG22 ' HA ' ' A' ' 129' ' ' VAL . 17.2 t -131.63 102.18 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 93.11 -48.02 2.44 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 169.64 -32.6 0.17 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.412 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 3.6 mt -100.83 135.56 36.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.8 0.333 . . . . 0.0 111.07 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.597 ' HB3' HD11 ' A' ' 177' ' ' LEU . 0.6 OUTLIER -60.34 164.09 4.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.6 178.66 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . 0.57 ' HD2' HD23 ' A' ' 177' ' ' LEU . 0.2 OUTLIER -144.91 116.53 8.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.433 ' HB2' ' CE1' ' A' ' 174' ' ' PHE . 53.0 t80 -72.68 126.22 29.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.26 -178.36 3.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -101.73 -47.54 4.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -82.0 -48.5 11.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.81 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 91.7 m -59.96 -36.93 78.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 2.4 m 60.85 165.95 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 62.18 150.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 167' ' ' PHE . 4.3 m-85 -73.46 105.45 4.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -108.19 132.91 53.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.012 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 16.5 m -52.66 -178.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.243 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.597 HD11 ' HB3' ' A' ' 164' ' ' MET . 0.3 OUTLIER -91.09 38.93 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.049 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -112.46 -32.31 6.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.075 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.09 31.27 2.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.922 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.421 ' CG ' ' HD3' ' A' ' 166' ' ' ARG . 97.7 m-85 -138.04 31.1 2.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.75 -179.948 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.788 0.328 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 126' ' ' CYS . 18.9 mm -101.81 156.35 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.42 ' N ' HG22 ' A' ' 125' ' ' ILE . 5.0 p -125.04 151.07 46.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 10.1 t -69.37 124.4 23.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -59.05 -25.96 64.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.798 HG11 ' CE1' ' A' ' 152' ' ' HIS . 39.2 t -57.36 124.43 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.133 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -58.36 -67.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.072 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -70.37 65.65 0.29 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.982 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 9.8 t -155.84 -66.87 0.12 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 59.56 28.26 64.87 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.485 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -73.47 173.62 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -119.74 139.98 51.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 55.7 mt -115.51 48.32 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 27.7 t -97.49 -28.92 13.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.0 34.78 1.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 4.1 m -112.16 179.38 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.196 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -95.09 -69.49 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -174.18 -38.69 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.006 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -50.49 -27.54 6.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.258 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -107.9 -29.79 8.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -53.35 58.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -71.49 -44.08 65.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.99 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -59.11 -21.72 59.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 65.71 71.28 0.43 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.997 0.427 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.546 HG11 ' CE1' ' A' ' 167' ' ' PHE . 8.7 p 179.17 155.26 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . 0.432 ' N ' HG22 ' A' ' 148' ' ' VAL . 20.8 p -89.53 179.32 6.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.841 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -71.11 -25.9 62.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.433 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 32.4 mm -66.6 -69.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.468 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.798 ' CE1' HG11 ' A' ' 129' ' ' VAL . 49.6 m80 -62.71 -28.54 70.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.202 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 13.2 t -58.52 -31.52 67.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -125.67 32.97 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -101.53 170.9 7.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.62 -30.84 18.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.073 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 3.5 p -141.01 167.13 22.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.095 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -161.84 177.83 9.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.02 99.68 4.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.586 HG21 ' CD2' ' A' ' 174' ' ' PHE . 12.7 t -131.13 125.58 57.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 68.14 34.44 81.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.519 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 65.17 28.1 73.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.518 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 164' ' ' MET . 33.7 mt -146.39 158.75 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.72 ' HB3' HD13 ' A' ' 177' ' ' LEU . 0.2 OUTLIER -89.15 154.86 19.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.756 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . 0.669 ' HA ' HD12 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -168.28 -179.09 3.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.905 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -149.71 131.5 15.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.546 ' CE1' HG11 ' A' ' 148' ' ' VAL . 3.0 t80 -64.53 112.54 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.936 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.45 -9.81 59.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.334 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 65.35 -75.85 0.05 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -54.82 40.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 24.1 m -65.76 -25.34 67.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.023 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.64 165.54 0.18 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.27 144.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.586 ' CD2' HG21 ' A' ' 160' ' ' VAL . 16.4 m-85 -67.21 124.13 22.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -110.11 127.48 54.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 11.2 p -58.69 143.55 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.175 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.72 HD13 ' HB3' ' A' ' 164' ' ' MET . 1.8 mp -64.12 120.19 11.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -147.89 -49.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -119.21 -37.42 3.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -57.04 128.64 37.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.885 0.374 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.747 HG21 ' HG2' ' A' ' 147' ' ' LYS . 28.6 mt -135.86 116.79 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.182 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 35.1 m -63.95 157.91 23.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . 0.483 ' SG ' HG23 ' A' ' 129' ' ' VAL . 24.8 t -58.05 146.9 31.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -96.6 34.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.851 HG11 ' NE2' ' A' ' 152' ' ' HIS . 46.9 t -117.74 134.68 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -58.13 139.68 54.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 63.44 30.52 15.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.031 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 9.0 t -146.0 82.51 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.934 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -92.94 46.08 2.48 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -75.71 118.11 18.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.34 . . . . 0.0 111.167 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -71.46 127.13 31.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.78 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 125' ' ' ILE . 84.5 mt -92.69 47.9 1.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.54 -22.32 17.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.017 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -95.46 35.06 1.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.066 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 7.3 m -127.86 170.79 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.084 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -115.36 -38.49 3.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.54 -178.08 0.72 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . 0.408 ' O ' ' CG ' ' A' ' 143' ' ' HIS . 3.0 t80 58.81 27.02 15.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.011 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 17.4 m170 -161.86 -49.24 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.494 ' O ' HD12 ' A' ' 125' ' ' ILE . 1.6 tmm_? -75.41 -37.86 60.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -69.39 -32.72 71.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -96.55 -11.15 25.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.747 ' HG2' HG21 ' A' ' 125' ' ' ILE . 30.8 mttt 65.68 78.37 0.27 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.94 0.4 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.529 HG11 ' CE2' ' A' ' 167' ' ' PHE . 10.6 p -174.8 135.65 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 22.7 p -73.91 -169.51 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.87 -28.88 32.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.247 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 37.4 mm -63.79 -69.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.226 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.851 ' NE2' HG11 ' A' ' 129' ' ' VAL . 50.6 m80 -60.03 -27.82 67.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.128 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.1 t -58.63 -30.29 67.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -131.07 36.74 3.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.813 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -99.27 -174.89 2.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.74 -34.45 7.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 2.2 p -139.81 105.65 5.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -108.89 133.01 53.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.644 ' O ' HG13 ' A' ' 129' ' ' VAL . 0.2 OUTLIER -85.85 123.98 31.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 19.1 t -152.35 111.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 74.27 32.12 58.51 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 77.42 2.71 80.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.955 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 164' ' ' MET . 5.1 mt -128.73 158.53 41.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.805 0.336 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.485 ' N ' HG22 ' A' ' 163' ' ' ILE . 7.1 mtt -92.4 168.39 11.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.17 178.51 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -136.11 125.46 24.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.529 ' CE2' HG11 ' A' ' 148' ' ' VAL . 42.9 t80 -62.67 116.89 5.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.3 131.72 38.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.811 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -83.07 -30.38 28.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -83.1 -54.09 5.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -77.62 -20.41 53.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.195 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 15.0 m 65.87 163.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 110.922 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 49.2 mtm180 62.0 166.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -69.23 155.64 40.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 180' ' ' PHE . 5.4 m-70 -144.28 118.52 9.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.009 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 177' ' ' LEU . 11.9 p -54.46 154.96 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.263 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.422 ' N ' HG22 ' A' ' 176' ' ' VAL . 30.5 mt -71.47 128.3 35.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -172.6 78.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.61 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.17 35.37 2.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.777 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.447 ' CZ ' ' HB3' ' A' ' 175' ' ' HIS . 5.0 m-85 -85.44 -31.03 23.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.873 180.0 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.839 0.352 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.75 HD12 ' HG2' ' A' ' 144' ' ' ARG . 25.2 mt -103.44 155.75 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.424 ' N ' HG22 ' A' ' 125' ' ' ILE . 10.3 m -108.17 156.68 19.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . 0.431 ' SG ' HG23 ' A' ' 129' ' ' VAL . 21.5 t -63.73 125.63 24.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -57.51 -25.4 59.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.785 ' HA ' HG22 ' A' ' 160' ' ' VAL . 42.3 t -58.76 135.57 23.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -76.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -69.41 67.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.898 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 4.7 t -171.13 103.98 0.22 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -97.58 27.79 17.17 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.411 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.35 141.34 57.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.774 0.321 . . . . 0.0 111.182 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.6 114.7 29.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.5 mt -85.14 57.19 4.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 8.4 t -110.43 -33.3 6.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.33 -31.54 64.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.838 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 31.0 m -63.88 176.72 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -101.46 -76.95 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -148.06 -169.8 3.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 9.1 t80 69.08 -66.89 0.23 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -66.91 -33.01 74.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.75 ' HG2' HD12 ' A' ' 125' ' ' ILE . 13.4 ttm-85 -71.41 -49.32 43.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -59.77 -36.21 76.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -75.77 -17.1 60.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.184 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 36.7 mttp 66.03 44.03 2.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.898 0.38 . . . . 0.0 110.799 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.0 p -147.78 141.79 19.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.016 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 21.5 p -79.24 -176.31 5.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.1 -28.25 61.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.199 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 35.3 mm -64.12 -70.35 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.318 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.694 ' CG ' HG21 ' A' ' 129' ' ' VAL . 50.8 m80 -62.22 -17.99 59.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.31 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.27 -55.84 21.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.965 0.412 . . . . 0.0 111.132 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.84 37.58 3.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.043 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -96.55 175.44 6.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.226 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 6.4 m -107.86 -29.15 9.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 1.8 p -125.35 126.28 44.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -141.75 125.32 16.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.28 103.09 13.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.785 HG22 ' HA ' ' A' ' 129' ' ' VAL . 15.2 t -138.22 136.14 44.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 58.96 29.09 64.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.523 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 68.76 22.13 75.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.559 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 19.2 mt -150.77 133.36 6.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.787 0.327 . . . . 0.0 111.012 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 1.3 mtt -65.8 145.71 55.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -162.51 178.87 8.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . 0.4 ' HB3' ' NH1' ' A' ' 166' ' ' ARG . 6.9 mtp-105 -125.94 165.35 18.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.807 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -119.6 111.64 18.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 9.0 t -99.8 129.17 45.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -63.4 -33.48 75.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -72.79 -43.07 63.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 86.2 m -68.73 -29.88 68.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.63 34.79 17.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.72 158.25 3.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -75.09 134.36 41.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -135.15 139.76 44.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 5.4 m -50.76 178.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.454 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 8.3 mt -93.62 44.23 1.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -109.04 -30.62 7.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.794 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -106.38 28.67 7.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -142.81 134.72 26.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.924 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.848 0.356 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 126' ' ' CYS . 30.6 mt -137.13 154.49 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.404 ' N ' HG22 ' A' ' 125' ' ' ILE . 1.8 m -106.09 162.09 13.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . 0.441 ' SG ' HG23 ' A' ' 129' ' ' VAL . 14.8 t -60.01 144.23 49.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -82.1 -24.88 34.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.712 HG21 ' CG ' ' A' ' 152' ' ' HIS . 39.8 t -54.33 133.68 17.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.17 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -54.85 -75.12 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.201 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -69.79 65.96 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 8.6 t -169.16 127.62 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.0 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -123.07 42.39 1.61 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.356 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -83.17 172.31 12.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 111.174 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -119.01 166.0 13.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.2 mt -138.26 32.29 2.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 26.3 p -87.48 -31.48 19.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -74.42 -30.86 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 30.7 m -70.09 176.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.164 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -115.17 -77.83 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -132.68 171.97 13.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . 0.4 ' O ' ' CD2' ' A' ' 143' ' ' HIS . 1.2 t80 60.21 33.05 21.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.412 ' CE1' ' HG2' ' A' ' 150' ' ' GLU . 8.5 m170 -164.17 -44.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -82.9 -53.14 6.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.26 -31.82 71.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . 0.409 ' CE1' ' HB3' ' A' ' 172' ' ' SER . 49.6 m170 -85.36 -13.33 49.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.298 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.92 80.72 0.22 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.861 0.362 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 9.2 p -179.84 130.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 30.0 p -67.82 -172.13 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.412 ' HG2' ' CE1' ' A' ' 143' ' ' HIS . 1.0 OUTLIER -84.93 8.32 18.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.857 -179.612 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 38.1 mm -104.11 -67.08 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.712 ' CG ' HG21 ' A' ' 129' ' ' VAL . 49.3 m80 -62.3 -21.24 65.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.38 -27.83 64.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.014 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -139.14 31.54 2.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.813 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -90.82 -173.9 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -100.65 -41.9 6.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.219 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 67.5 p -131.42 133.25 45.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -134.26 116.64 15.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.93 102.76 4.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.002 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 4.4 t -134.45 115.9 20.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 69.06 36.04 79.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.473 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 69.95 25.59 75.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.561 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.484 HG22 ' N ' ' A' ' 164' ' ' MET . 22.0 mt -150.82 158.83 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 0.0 111.04 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.484 ' N ' HG22 ' A' ' 163' ' ' ILE . 12.3 mtt -99.35 147.87 24.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . 0.424 ' HG3' ' CD1' ' A' ' 174' ' ' PHE . 0.1 OUTLIER -149.68 -178.79 6.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.975 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 35.5 ttt-85 -138.62 124.67 20.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -66.93 112.58 4.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.9 151.63 23.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.98 -47.02 21.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -69.17 -41.78 76.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 15.5 m -72.48 -30.25 64.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . 0.409 ' HB3' ' CE1' ' A' ' 146' ' ' HIS . 69.1 m 61.9 30.12 18.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -177.19 161.06 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . 0.424 ' CD1' ' HG3' ' A' ' 165' ' ' GLN . 54.6 m-85 -60.11 156.77 14.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . 0.401 ' CD2' ' O ' ' A' ' 174' ' ' PHE . 30.3 m-70 -164.03 41.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 177' ' ' LEU . 22.0 t 61.0 155.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.426 ' N ' HG12 ' A' ' 176' ' ' VAL . 92.7 mt -77.84 69.25 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.792 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -96.27 40.07 1.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.987 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 58.51 70.57 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -95.64 154.32 17.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.921 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.941 0.4 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.639 ' O ' HD12 ' A' ' 136' ' ' LEU . 30.4 mt -142.84 99.27 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.092 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.6 m -58.07 158.99 6.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . 0.433 ' SG ' HG23 ' A' ' 129' ' ' VAL . 8.8 t -58.66 145.86 38.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.816 ' O ' HG13 ' A' ' 160' ' ' VAL . 16.7 pt20 -96.73 24.88 5.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.058 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.549 ' HA ' HG22 ' A' ' 160' ' ' VAL . 24.6 t -109.23 148.26 13.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -72.58 145.6 47.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.038 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 62.39 30.88 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 16.8 t -144.78 105.82 4.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.886 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -100.06 34.15 5.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.388 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.18 141.55 53.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.843 0.354 . . . . 0.0 111.063 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -104.37 119.66 39.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 125' ' ' ILE . 33.7 mt -99.53 58.28 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 35.4 t -106.48 -45.41 4.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -71.14 -27.9 63.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 25.7 m -56.39 179.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.19 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -96.12 -75.8 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.985 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -157.95 -43.62 0.06 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -47.7 -42.77 25.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.297 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.536 ' O ' HD22 ' A' ' 136' ' ' LEU . 32.5 m170 -106.09 40.23 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.437 ' HA ' HD13 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -142.87 -48.86 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -63.11 -31.9 73.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . 0.448 ' HB2' HG12 ' A' ' 148' ' ' VAL . 38.1 m170 -83.84 -3.19 57.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.386 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.622 ' HG3' HG21 ' A' ' 125' ' ' ILE . 0.4 OUTLIER 61.2 28.09 17.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.718 0.294 . . . . 0.0 111.126 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.448 HG12 ' HB2' ' A' ' 146' ' ' HIS . 12.3 p -128.38 142.6 43.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.2 p -83.7 -171.48 3.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -75.45 -33.45 60.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.043 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.483 ' O ' ' HB2' ' A' ' 155' ' ' ALA . 50.2 mm -61.94 -42.84 96.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.277 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -95.46 26.53 3.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.188 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 34.1 t -104.71 -31.56 9.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.727 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.0 29.37 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 151' ' ' ILE . . . -91.96 159.25 15.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.072 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.705 ' O ' HG23 ' A' ' 157' ' ' THR . 31.3 p -97.26 24.15 6.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.296 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 156' ' ' THR . 0.2 OUTLIER -179.06 135.49 0.13 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.042 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -150.97 135.32 16.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.405 ' O ' HG13 ' A' ' 129' ' ' VAL . 0.3 OUTLIER -105.0 100.77 10.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.995 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.816 HG13 ' O ' ' A' ' 128' ' ' GLN . 39.0 t -127.64 132.33 69.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.986 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 62.63 28.39 71.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.506 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 72.12 31.09 64.39 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.535 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 164' ' ' MET . 25.4 mt -147.87 158.94 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.486 ' N ' HG22 ' A' ' 163' ' ' ILE . 6.3 mmt -93.46 133.89 36.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.21 -178.75 6.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.057 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -146.31 136.09 23.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.801 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -84.6 143.32 29.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.62 163.71 24.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -97.58 -53.67 3.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -63.01 -40.92 99.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 56.1 m -84.25 -31.15 25.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 11.8 t 61.1 167.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 60.73 158.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.76 131.31 44.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -122.84 131.52 53.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.828 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . . . . . . . . . 14.1 m -49.59 164.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.534 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.77 37.62 1.28 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -81.51 -30.6 33.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.748 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.49 -37.87 4.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.751 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -68.49 123.06 19.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.903 -179.929 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_