data_1jun_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 1jun _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.087 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -70.19 -24.94 63.21 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.295 -1.12 . . . . 0.0 109.584 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 277' ' ' ILE . . . . . . . . . . . . . 5.1 mp -71.71 -62.49 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 O-C-N 121.27 -0.894 . . . . 0.0 109.466 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 278' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 281' ' ' GLU . . . -47.64 -41.94 23.31 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.37 -0.831 . . . . 0.0 109.565 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -58.26 9.4 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 121.138 -0.976 . . . . 0.0 109.407 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 13.4 mt -47.97 -28.47 2.76 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.138 -0.976 . . . . 0.0 109.416 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 278' ' ' ALA . 0.5 OUTLIER -70.78 -52.61 19.56 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.287 -0.883 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -52.85 -36.5 59.02 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.254 -0.904 . . . . 0.0 109.066 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.35 -46.73 75.77 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.397 -0.814 . . . . 0.0 109.214 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 284' ' ' VAL . . . . . 0.465 HG11 HD12 ' B' ' 287' ' ' LEU . 78.4 t -61.63 -19.2 20.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.299 -0.876 . . . . 0.0 109.143 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -77.72 -47.61 18.69 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.293 -0.879 . . . . 0.0 109.281 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . 3.5 m -64.66 -31.7 73.04 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.252 -0.905 . . . . 0.0 109.403 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 287' ' ' LEU . . . . . 0.468 HD12 HG11 ' B' ' 284' ' ' VAL . 56.1 mt -69.84 -51.73 30.97 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.321 -0.862 . . . . 0.0 109.53 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -34.19 70.24 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.217 -0.927 . . . . 0.0 109.427 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 289' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 290' ' ' GLN . . . -64.24 -68.15 0.37 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.285 -0.885 . . . . 0.0 109.601 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 290' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 289' ' ' ALA . 10.0 mt-30 -43.77 -36.84 2.44 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.504 -0.748 . . . . 0.0 109.56 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -58.08 -52.12 66.87 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.311 -0.868 . . . . 0.0 109.352 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 27.4 m -61.77 -23.75 66.39 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 121.256 -0.902 . . . . 0.0 109.373 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.21 -68.34 0.41 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.23 -0.919 . . . . 0.0 109.462 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' B' ' 295' ' ' ALA . 1.8 mt -56.02 -19.3 12.13 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.204 -0.935 . . . . 0.0 109.692 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 295' ' ' ALA . . . . . 0.416 ' HA ' HD23 ' B' ' 294' ' ' LEU . . . -71.96 -49.97 32.89 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.083 -1.011 . . . . 0.0 109.315 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.48 -35.79 82.07 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.215 -0.928 . . . . 0.0 109.276 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 9.3 m -60.59 -51.31 69.95 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.378 -0.826 . . . . 0.0 109.215 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 298' ' ' ALA . . . . . . . . . . . . . . . -61.96 -28.99 69.94 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.232 -0.918 . . . . 0.0 109.293 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -68.52 -34.49 75.97 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.213 -0.929 . . . . 0.0 109.375 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -43.76 58.79 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.196 -0.94 . . . . 0.0 109.464 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . 0.468 ' HB3' ' HB3' ' B' ' 301' ' ' LEU . 2.9 mt -68.73 -20.54 64.39 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.375 -0.828 . . . . 0.0 109.541 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 20.6 mtt180 -78.68 -53.77 6.8 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.217 -0.927 . . . . 0.0 109.512 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 307' ' ' GLN . 14.5 pt-20 -60.34 -36.71 78.6 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.263 -0.898 . . . . 0.0 109.725 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 304' ' ' GLN . . . . . 0.508 ' HG3' ' N ' ' A' ' 305' ' ' VAL . 3.0 pt20 -73.6 -41.32 63.02 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.065 -1.022 . . . . 0.0 109.663 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 305' ' ' VAL . . . . . 0.508 ' N ' ' HG3' ' A' ' 304' ' ' GLN . 55.8 t -69.63 -16.15 20.15 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 O-C-N 121.256 -0.902 . . . . 0.0 109.11 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -81.47 -48.86 11.31 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.356 -0.84 . . . . 0.0 109.196 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 307' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 303' ' ' GLU . 33.9 mt-30 -63.64 -36.92 85.41 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.239 -0.913 . . . . 0.0 109.01 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.305 -1.358 0 O-C-N 121.34 -0.85 . . . . 0.0 109.23 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -69.95 -24.52 63.36 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.241 -1.152 . . . . 0.0 109.632 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 277' ' ' ILE . . . . . . . . . . . . . 5.1 mp -72.22 -62.65 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 O-C-N 121.142 -0.974 . . . . 0.0 109.437 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 278' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' B' ' 281' ' ' GLU . . . -47.66 -41.84 23.23 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.269 -0.894 . . . . 0.0 109.581 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -58.13 9.96 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.246 -0.909 . . . . 0.0 109.437 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 280' ' ' LEU . . . . . . . . . . . . . 13.6 mt -48.15 -28.43 2.95 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.152 -0.967 . . . . 0.0 109.351 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 281' ' ' GLU . . . . . 0.453 ' HB2' ' O ' ' B' ' 278' ' ' ALA . 0.5 OUTLIER -70.69 -52.94 17.77 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.298 -0.877 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -52.45 -36.68 55.26 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.158 -0.964 . . . . 0.0 109.061 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.13 -46.92 75.83 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.407 -0.808 . . . . 0.0 109.264 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 284' ' ' VAL . . . . . 0.468 HG11 HD12 ' A' ' 287' ' ' LEU . 79.0 t -61.64 -18.93 19.92 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 O-C-N 121.275 -0.89 . . . . 0.0 109.238 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -77.97 -47.4 18.65 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.327 -0.858 . . . . 0.0 109.368 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 286' ' ' THR . . . . . . . . . . . . . 3.5 m -64.74 -32.22 73.8 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.299 -0.876 . . . . 0.0 109.372 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 287' ' ' LEU . . . . . 0.465 HD12 HG11 ' A' ' 284' ' ' VAL . 55.2 mt -69.41 -51.71 33.82 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.238 -0.913 . . . . 0.0 109.518 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -33.87 70.11 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.215 -0.928 . . . . 0.0 109.5 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 289' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' B' ' 290' ' ' GLN . . . -64.51 -68.22 0.37 Allowed 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.25 -0.906 . . . . 0.0 109.676 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 290' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' B' ' 289' ' ' ALA . 9.6 mt-30 -43.67 -34.45 1.48 Allowed 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.512 -0.742 . . . . 0.0 109.61 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -60.01 -54.35 47.12 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.356 -0.84 . . . . 0.0 109.184 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 21.9 m -59.35 -23.16 62.3 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.32 -0.862 . . . . 0.0 109.341 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -70.15 -68.62 0.41 Allowed 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.29 -0.881 . . . . 0.0 109.535 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 294' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 295' ' ' ALA . 1.9 mt -56.11 -18.93 11.19 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.307 -0.871 . . . . 0.0 109.683 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 295' ' ' ALA . . . . . 0.424 ' HA ' HD23 ' A' ' 294' ' ' LEU . . . -72.29 -49.92 31.02 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.164 -0.96 . . . . 0.0 109.376 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -36.16 83.3 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.181 -0.949 . . . . 0.0 109.205 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 9.5 m -60.21 -51.67 68.59 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.242 -0.911 . . . . 0.0 109.246 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -61.71 -29.18 69.93 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.238 -0.914 . . . . 0.0 109.307 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -68.37 -34.56 76.28 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.313 -0.867 . . . . 0.0 109.39 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -43.51 59.98 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.311 -0.868 . . . . 0.0 109.464 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 301' ' ' LEU . . . . . 0.468 ' HB3' ' HB3' ' A' ' 301' ' ' LEU . 2.8 mt -69.24 -20.3 63.94 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.328 -0.857 . . . . 0.0 109.544 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -78.83 -53.01 7.53 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.31 -0.869 . . . . 0.0 109.488 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 303' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' B' ' 307' ' ' GLN . 14.5 pt-20 -60.98 -36.78 80.34 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.262 -0.899 . . . . 0.0 109.735 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 304' ' ' GLN . . . . . 0.488 ' HG3' ' N ' ' B' ' 305' ' ' VAL . 3.0 pt20 -73.62 -41.1 63.24 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.165 -0.96 . . . . 0.0 109.664 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 305' ' ' VAL . . . . . 0.488 ' N ' ' HG3' ' B' ' 304' ' ' GLN . 54.7 t -69.72 -16.29 20.24 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 121.239 -0.913 . . . . 0.0 109.167 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -81.54 -48.62 11.57 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.331 -0.855 . . . . 0.0 109.294 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 307' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' B' ' 303' ' ' GLU . 33.9 mt-30 -63.81 -37.08 86.06 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.206 -0.934 . . . . 0.0 108.934 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 308' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.304 -1.386 0 O-C-N 121.401 -0.812 . . . . 0.0 109.198 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.033 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 276' ' ' ARG . . . . . 0.417 ' NH2' ' HG2' ' A' ' 276' ' ' ARG . 0.0 OUTLIER -90.48 -22.55 21.32 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.168 -1.195 . . . . 0.0 109.354 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 277' ' ' ILE . . . . . . . . . . . . . 4.6 mt -72.49 -35.5 51.5 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 121.268 -0.895 . . . . 0.0 109.452 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . -61.31 -48.84 79.53 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.174 -0.954 . . . . 0.0 109.222 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -63.32 -47.1 83.64 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.328 -0.858 . . . . 0.0 109.412 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 5.1 mt -54.04 -45.81 71.72 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.347 -0.845 . . . . 0.0 109.721 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.36 -48.98 78.83 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.175 -0.953 . . . . 0.0 109.549 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.69 -29.63 69.44 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.227 -0.921 . . . . 0.0 109.127 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.66 -49.22 41.84 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.311 -0.868 . . . . 0.0 109.543 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 284' ' ' VAL . . . . . . . . . . . . . 98.5 t -60.53 -27.26 39.87 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.26 -0.9 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -52.27 22.56 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.208 -0.932 . . . . 0.0 109.289 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 286' ' ' THR . . . . . 0.418 ' O ' ' HB1' ' A' ' 289' ' ' ALA . 0.0 OUTLIER -55.24 -47.15 75.81 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.27 -0.894 . . . . 0.0 109.336 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 287' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.25 -55.72 19.43 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.285 -0.885 . . . . 0.0 109.134 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.49 -37.92 41.3 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.217 -0.927 . . . . 0.0 109.184 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 289' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 286' ' ' THR . . . -55.17 -64.08 0.95 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.32 -0.862 . . . . 0.0 109.373 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 290' ' ' GLN . . . . . 0.431 ' HA ' ' HB2' ' A' ' 293' ' ' GLU . 27.9 mt-30 -48.23 -41.99 29.02 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.366 -0.834 . . . . 0.0 109.409 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -52.22 -62.03 1.9 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.38 -0.825 . . . . 0.0 109.609 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.55 -24.92 66.97 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.22 -0.925 . . . . 0.0 109.638 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 290' ' ' GLN . 17.8 mt-10 -70.32 -75.92 0.11 Allowed 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.183 -0.948 . . . . 0.0 109.631 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 1.2 mt -51.42 -46.54 62.97 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.228 -0.92 . . . . 0.0 109.771 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 295' ' ' ALA . . . . . 0.401 ' HA ' HD21 ' B' ' 294' ' ' LEU . . . -47.9 -59.09 3.6 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.122 -0.986 . . . . 0.0 109.609 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.64 -48.78 39.4 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.264 -0.898 . . . . 0.0 109.673 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 6.7 m -56.17 -53.62 54.96 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.196 -0.94 . . . . 0.0 109.513 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 298' ' ' ALA . . . . . . . . . . . . . . . -57.82 -26.09 61.52 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.228 -0.92 . . . . 0.0 109.463 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -70.8 -50.12 39.08 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.25 -0.906 . . . . 0.0 109.617 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 300' ' ' MET . . . . . 0.44 ' O ' ' HG2' ' A' ' 304' ' ' GLN . 41.2 ttm -64.74 -52.75 55.42 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.248 -0.907 . . . . 0.0 109.68 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 74.4 mt -46.89 -56.8 5.72 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.235 -0.916 . . . . 0.0 109.689 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -37.99 64.97 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.234 -0.916 . . . . 0.0 109.741 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 307' ' ' GLN . 1.7 mm-40 -61.66 -42.6 99.14 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.143 -0.973 . . . . 0.0 109.696 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 304' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 300' ' ' MET . 33.9 mm-40 -65.19 -60.64 2.78 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.132 -0.98 . . . . 0.0 109.143 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 305' ' ' VAL . . . . . 0.411 ' CG2' ' CG2' ' B' ' 305' ' ' VAL . 4.5 t -53.5 -24.84 9.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.271 -0.893 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -74.92 -45.58 41.61 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.314 -0.866 . . . . 0.0 109.511 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 307' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 303' ' ' GLU . 3.2 pt20 -76.86 -17.98 58.64 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.334 -0.854 . . . . 0.0 109.388 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.304 -1.411 0 O-C-N 121.338 -0.851 . . . . 0.0 109.314 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -1.008 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 276' ' ' ARG . . . . . 0.405 ' NH2' ' HG2' ' B' ' 276' ' ' ARG . 0.0 OUTLIER -90.12 -23.34 21.39 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.179 -1.189 . . . . 0.0 109.428 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 277' ' ' ILE . . . . . . . . . . . . . 4.7 mt -71.73 -35.45 55.45 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 O-C-N 121.309 -0.869 . . . . 0.0 109.445 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 278' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.01 78.66 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.169 -0.957 . . . . 0.0 109.268 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -63.19 -46.98 84.55 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.259 -0.901 . . . . 0.0 109.418 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 280' ' ' LEU . . . . . . . . . . . . . 5.1 mt -54.23 -45.51 72.32 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.231 -0.918 . . . . 0.0 109.656 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.67 -49.03 78.16 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.167 -0.958 . . . . 0.0 109.504 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -29.35 69.17 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.219 -0.926 . . . . 0.0 109.172 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.94 -49.04 40.96 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.374 -0.829 . . . . 0.0 109.513 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 284' ' ' VAL . . . . . . . . . . . . . 98.4 t -60.76 -27.92 41.93 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 O-C-N 121.219 -0.925 . . . . 0.0 109.267 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -52.3 25.54 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.264 -0.897 . . . . 0.0 109.295 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 286' ' ' THR . . . . . 0.415 ' O ' ' HB1' ' B' ' 289' ' ' ALA . 0.0 OUTLIER -55.01 -47.78 74.24 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.16 -0.963 . . . . 0.0 109.323 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 287' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.69 -55.72 17.88 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.203 -0.935 . . . . 0.0 109.139 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.66 -37.32 40.16 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.343 -0.848 . . . . 0.0 109.254 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 289' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' B' ' 286' ' ' THR . . . -55.88 -63.55 1.14 Allowed 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.382 -0.824 . . . . 0.0 109.486 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 290' ' ' GLN . . . . . 0.432 ' HA ' ' HB2' ' B' ' 293' ' ' GLU . 27.5 mt-30 -48.02 -44.12 30.67 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.323 -0.861 . . . . 0.0 109.563 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -51.02 -64.35 0.84 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.224 -0.922 . . . . 0.0 109.633 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.16 -25.78 61.91 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.248 -0.907 . . . . 0.0 109.512 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 293' ' ' GLU . . . . . 0.432 ' HB2' ' HA ' ' B' ' 290' ' ' GLN . 17.8 mt-10 -70.16 -75.43 0.12 Allowed 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.249 -0.907 . . . . 0.0 109.571 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 294' ' ' LEU . . . . . 0.401 HD21 ' HA ' ' A' ' 295' ' ' ALA . 1.2 mt -52.36 -45.91 65.92 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.345 -0.847 . . . . 0.0 109.771 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -48.12 -58.93 3.82 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.131 -0.981 . . . . 0.0 109.537 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.78 -48.86 40.76 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.23 -0.919 . . . . 0.0 109.611 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 6.5 m -55.97 -53.79 52.64 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.214 -0.929 . . . . 0.0 109.457 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -57.56 -26.25 61.15 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.165 -0.959 . . . . 0.0 109.494 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -71.0 -50.17 37.18 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.331 -0.856 . . . . 0.0 109.595 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 300' ' ' MET . . . . . 0.446 ' O ' ' HG2' ' B' ' 304' ' ' GLN . 40.9 ttm -64.65 -52.5 56.98 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.203 -0.936 . . . . 0.0 109.674 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 70.9 mt -47.31 -56.75 6.22 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.349 -0.844 . . . . 0.0 109.708 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -37.93 64.63 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.212 -0.93 . . . . 0.0 109.687 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 303' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' B' ' 307' ' ' GLN . 1.7 mm-40 -61.79 -42.73 99.38 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.212 -0.93 . . . . 0.0 109.717 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 304' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' B' ' 300' ' ' MET . 33.4 mm-40 -65.2 -60.54 2.89 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.112 -0.992 . . . . 0.0 109.184 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 305' ' ' VAL . . . . . 0.411 ' CG2' ' CG2' ' A' ' 305' ' ' VAL . 4.5 t -53.28 -25.44 10.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 O-C-N 121.285 -0.884 . . . . 0.0 109.388 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -74.38 -46.02 43.07 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.239 -0.913 . . . . 0.0 109.572 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 307' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' B' ' 303' ' ' GLU . 3.2 pt20 -76.2 -17.94 59.3 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.251 -0.906 . . . . 0.0 109.392 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 308' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.305 -1.357 0 O-C-N 121.221 -0.924 . . . . 0.0 109.257 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -1.099 0 N-CA-C 109.629 -1.389 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -33.86 39.69 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.346 -1.09 . . . . 0.0 109.405 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 277' ' ' ILE . . . . . . . . . . . . . 63.2 mt -56.77 -54.48 28.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.322 -0.861 . . . . 0.0 109.665 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . -49.11 -45.61 43.66 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.318 -0.864 . . . . 0.0 109.693 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -62.81 -50.01 72.69 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.228 -0.92 . . . . 0.0 109.711 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 5.4 mt -57.47 -58.54 7.83 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.25 -0.906 . . . . 0.0 109.6 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.4 -42.93 43.83 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.275 -0.891 . . . . 0.0 109.603 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -59.06 -35.61 73.64 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.257 -0.902 . . . . 0.0 109.397 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -74.45 -48.59 26.55 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.32 -0.863 . . . . 0.0 109.471 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 284' ' ' VAL . . . . . 0.403 ' O ' HG11 ' A' ' 284' ' ' VAL . 82.0 t -55.26 -33.25 30.3 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 O-C-N 121.327 -0.858 . . . . 0.0 109.455 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -73.39 -53.29 11.08 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.249 -0.907 . . . . 0.0 109.318 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . 91.6 m -51.43 -39.72 57.92 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.208 -0.932 . . . . 0.0 109.126 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 287' ' ' LEU . . . . . 0.49 ' CB ' HD11 ' B' ' 287' ' ' LEU . 9.7 mt -60.64 -60.75 3.31 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.314 -0.866 . . . . 0.0 109.262 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 288' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 287' ' ' LEU . 0.0 OUTLIER -44.87 -29.33 0.78 Allowed 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.466 -0.771 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 289' ' ' ALA . . . . . . . . . . . . . . . -67.81 -59.52 3.24 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.17 -0.957 . . . . 0.0 109.331 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 290' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -50.96 -36.65 39.97 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.41 -0.806 . . . . 0.0 109.552 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -60.72 -53.09 61.6 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.08 -1.012 . . . . 0.0 109.204 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -29.1 68.93 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.262 -0.899 . . . . 0.0 109.235 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -72.43 -70.61 0.33 Allowed 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.235 -0.916 . . . . 0.0 109.593 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.69 -27.23 11.08 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.254 -0.904 . . . . 0.0 109.549 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -64.54 -54.84 25.86 Favored 'General case' 0 C--N 1.305 -1.326 0 O-C-N 121.135 -0.978 . . . . 0.0 109.394 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -41.04 93.92 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.292 -0.88 . . . . 0.0 109.475 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 297' ' ' THR . . . . . 0.448 ' O ' ' HB3' ' A' ' 300' ' ' MET . 23.0 m -57.23 -51.65 68.49 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.16 -0.963 . . . . 0.0 109.569 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 298' ' ' ALA . . . . . . . . . . . . . . . -57.89 -58.27 9.13 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.2 -0.938 . . . . 0.0 109.417 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -46.26 -32.65 3.2 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.244 -0.91 . . . . 0.0 109.325 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 300' ' ' MET . . . . . 0.448 ' HB3' ' O ' ' A' ' 297' ' ' THR . 1.7 ttp -66.64 -59.37 3.66 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.164 -0.96 . . . . 0.0 109.293 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.59 -16.8 51.47 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.295 -0.878 . . . . 0.0 109.448 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 302' ' ' ARG . . . . . 0.44 ' NH1' ' HG2' ' A' ' 302' ' ' ARG . 0.0 OUTLIER -74.9 -48.55 24.16 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.352 -0.842 . . . . 0.0 109.542 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 300' ' ' MET . 5.1 pt-20 -64.52 -37.15 86.53 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.208 -0.933 . . . . 0.0 109.53 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 304' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 307' ' ' GLN . 0.1 OUTLIER -64.0 -61.68 2.12 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.108 -0.995 . . . . 0.0 109.152 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 305' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 304' ' ' GLN . 39.6 t -46.51 -35.63 2.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.303 -0.873 . . . . 0.0 109.168 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -66.34 -34.84 78.88 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.29 -0.881 . . . . 0.0 109.226 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 307' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 304' ' ' GLN . 2.9 mt-30 -76.29 -53.3 8.42 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.255 -0.903 . . . . 0.0 109.261 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 3.9 mt . . . . . 0 C--N 1.304 -1.399 0 O-C-N 121.391 -0.818 . . . . 0.0 109.452 -179.939 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.044 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -34.42 43.85 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.201 -1.176 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 277' ' ' ILE . . . . . . . . . . . . . 64.2 mt -56.41 -54.22 30.95 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.361 -0.837 . . . . 0.0 109.577 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 278' ' ' ALA . . . . . . . . . . . . . . . -49.22 -45.86 45.08 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.07 -1.019 . . . . 0.0 109.567 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -62.47 -50.38 71.69 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.269 -0.894 . . . . 0.0 109.716 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 280' ' ' LEU . . . . . . . . . . . . . 5.4 mt -57.12 -58.83 6.46 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.192 -0.942 . . . . 0.0 109.571 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.23 -43.22 42.4 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.223 -0.923 . . . . 0.0 109.597 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -58.91 -35.3 72.84 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.221 -0.925 . . . . 0.0 109.386 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -74.67 -48.72 24.54 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.297 -0.877 . . . . 0.0 109.574 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 284' ' ' VAL . . . . . 0.403 ' O ' HG11 ' B' ' 284' ' ' VAL . 78.7 t -55.14 -33.12 29.17 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 O-C-N 121.315 -0.865 . . . . 0.0 109.398 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -73.72 -53.47 10.27 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.2 -0.938 . . . . 0.0 109.283 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 286' ' ' THR . . . . . . . . . . . . . 91.5 m -51.14 -39.53 56.48 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.115 -0.991 . . . . 0.0 109.068 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 287' ' ' LEU . . . . . 0.49 HD11 ' CB ' ' A' ' 287' ' ' LEU . 9.5 mt -60.86 -61.01 2.9 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.431 -0.793 . . . . 0.0 109.201 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 288' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' B' ' 287' ' ' LEU . 0.0 OUTLIER -44.69 -29.36 0.75 Allowed 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.382 -0.824 . . . . 0.0 109.377 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 289' ' ' ALA . . . . . . . . . . . . . . . -67.57 -59.69 3.15 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.26 -0.9 . . . . 0.0 109.167 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 290' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -51.33 -36.96 45.22 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.416 -0.803 . . . . 0.0 109.315 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -59.61 -51.56 69.31 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.22 -0.925 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -28.74 70.23 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.271 -0.893 . . . . 0.0 109.34 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -72.23 -70.59 0.33 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.24 -0.912 . . . . 0.0 109.445 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 294' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.7 -27.14 10.83 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.265 -0.897 . . . . 0.0 109.628 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -64.56 -53.92 40.23 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.135 -0.978 . . . . 0.0 109.541 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.6 -40.44 94.8 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.18 -0.95 . . . . 0.0 109.604 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 297' ' ' THR . . . . . 0.443 ' O ' ' HB3' ' B' ' 300' ' ' MET . 21.8 m -57.86 -51.9 67.68 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.156 -0.965 . . . . 0.0 109.58 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 298' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' B' ' 299' ' ' ASN . . . -57.31 -58.32 8.78 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.343 -0.848 . . . . 0.0 109.513 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 299' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' B' ' 298' ' ' ALA . 1.1 m-20 -46.21 -33.05 3.37 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.209 -0.932 . . . . 0.0 109.353 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 300' ' ' MET . . . . . 0.443 ' HB3' ' O ' ' B' ' 297' ' ' THR . 1.8 ttp -66.33 -58.98 4.17 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.281 -0.887 . . . . 0.0 109.365 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 301' ' ' LEU . . . . . 0.405 ' HA ' ' HG3' ' B' ' 304' ' ' GLN . 74.3 mt -61.75 -17.28 55.3 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.264 -0.898 . . . . 0.0 109.441 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 302' ' ' ARG . . . . . 0.432 ' NH1' ' HG2' ' B' ' 302' ' ' ARG . 0.0 OUTLIER -74.39 -48.67 26.39 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.221 -0.924 . . . . 0.0 109.544 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 303' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' B' ' 300' ' ' MET . 5.3 pt-20 -64.31 -37.07 86.21 Favored 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.311 -0.868 . . . . 0.0 109.753 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 304' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' B' ' 307' ' ' GLN . 0.1 OUTLIER -64.16 -61.17 2.42 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.186 -0.946 . . . . 0.0 109.105 179.84 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 305' ' ' VAL . . . . . . . . . . . . . 39.0 t -47.27 -34.78 3.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.439 -0.788 . . . . 0.0 109.266 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -67.33 -34.01 76.46 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.292 -0.88 . . . . 0.0 109.293 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 307' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' B' ' 304' ' ' GLN . 2.9 mt-30 -77.02 -53.08 8.26 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.256 -0.903 . . . . 0.0 109.304 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 308' ' ' LEU . . . . . . . . . . . . . 3.9 mt . . . . . 0 C--N 1.304 -1.391 0 O-C-N 121.399 -0.813 . . . . 0.0 109.433 179.863 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -1.158 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.88 -33.17 74.73 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.248 -1.148 . . . . 0.0 109.409 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 277' ' ' ILE . . . . . 0.449 ' N ' ' CD1' ' A' ' 277' ' ' ILE . 2.3 mp -71.37 -36.88 62.95 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 O-C-N 121.28 -0.887 . . . . 0.0 108.988 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . -55.56 -59.52 4.71 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.292 -0.88 . . . . 0.0 108.856 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -46.99 80.54 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.298 -0.876 . . . . 0.0 109.177 179.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . 0.41 ' O ' HG21 ' A' ' 284' ' ' VAL . 0.2 OUTLIER -50.22 -44.82 53.43 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.364 -0.835 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.43 -33.69 76.55 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.304 -0.872 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.53 -38.91 77.7 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.28 -0.887 . . . . 0.0 108.701 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -65.95 -35.99 82.11 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.468 -0.77 . . . . 0.0 108.924 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 284' ' ' VAL . . . . . 0.41 HG21 ' O ' ' A' ' 280' ' ' LEU . 58.4 t -61.34 -54.56 33.45 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.444 -0.785 . . . . 0.0 109.008 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -43.99 73.57 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.26 -0.9 . . . . 0.0 109.136 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . 39.9 m -56.01 -45.1 79.19 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.266 -0.896 . . . . 0.0 109.022 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 287' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 288' ' ' LYS . 4.4 mt -59.27 -53.92 52.78 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.378 -0.826 . . . . 0.0 109.045 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 288' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 287' ' ' LEU . 0.0 OUTLIER -47.49 -43.55 24.59 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.332 -0.855 . . . . 0.0 109.21 179.741 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 289' ' ' ALA . . . . . . . . . . . . . . . -54.04 -61.35 2.36 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.162 -0.961 . . . . 0.0 109.189 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 290' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -48.18 -36.82 14.35 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.32 -0.863 . . . . 0.0 109.377 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -60.07 -45.26 93.49 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.227 -0.921 . . . . 0.0 109.16 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.2 -29.93 70.29 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.348 -0.845 . . . . 0.0 108.919 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -70.61 -50.78 33.41 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.321 -0.862 . . . . 0.0 109.288 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . 0.475 ' HB3' ' HB3' ' B' ' 294' ' ' LEU . 0.3 OUTLIER -64.68 -39.19 93.25 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.21 -0.932 . . . . 0.0 109.376 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 295' ' ' ALA . . . . . 0.458 ' HA ' HD23 ' B' ' 294' ' ' LEU . . . -63.06 -47.06 84.58 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.352 -0.843 . . . . 0.0 109.422 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 2.2 t -63.95 -48.78 75.14 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.301 -0.874 . . . . 0.0 109.51 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 58.1 m -57.13 -52.92 63.36 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.334 -0.854 . . . . 0.0 109.603 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 298' ' ' ALA . . . . . . . . . . . . . . . -49.86 -54.05 21.9 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.19 -0.944 . . . . 0.0 109.497 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -53.73 -36.85 62.74 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.241 -0.912 . . . . 0.0 109.51 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 300' ' ' MET . . . . . . . . . . . . . 1.1 mtp -60.85 -42.35 97.65 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.291 -0.881 . . . . 0.0 109.536 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . 0.528 ' O ' ' CG2' ' A' ' 305' ' ' VAL . 38.4 mt -69.49 -23.63 63.66 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.292 -0.88 . . . . 0.0 109.632 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -51.34 9.04 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.194 -0.941 . . . . 0.0 109.804 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -60.94 -31.04 70.6 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.095 -1.003 . . . . 0.0 109.726 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 304' ' ' GLN . . . . . 0.51 ' HG3' ' N ' ' A' ' 305' ' ' VAL . 3.6 pt20 -77.95 -40.77 38.43 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.217 -0.927 . . . . 0.0 109.668 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 305' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 301' ' ' LEU . 58.8 t -59.11 -49.6 82.74 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 O-C-N 121.107 -0.996 . . . . 0.0 109.227 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.21 94.06 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.275 -0.891 . . . . 0.0 108.936 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 307' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -66.3 -27.39 67.88 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.364 -0.835 . . . . 0.0 109.048 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--N 1.306 -1.304 0 O-C-N 121.306 -0.871 . . . . 0.0 109.229 179.91 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.037 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.96 -32.83 74.24 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.221 -1.164 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 277' ' ' ILE . . . . . 0.423 ' CD1' ' N ' ' B' ' 277' ' ' ILE . 2.3 mp -71.66 -36.53 59.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.304 -0.873 . . . . 0.0 108.979 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 278' ' ' ALA . . . . . . . . . . . . . . . -55.6 -59.53 4.71 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.356 -0.84 . . . . 0.0 108.835 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -47.19 81.26 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.253 -0.904 . . . . 0.0 109.025 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 280' ' ' LEU . . . . . 0.412 ' O ' HG21 ' B' ' 284' ' ' VAL . 0.2 OUTLIER -49.96 -45.15 51.11 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.359 -0.838 . . . . 0.0 109.363 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.0 -33.62 76.49 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.254 -0.904 . . . . 0.0 109.231 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.63 -39.23 77.29 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.251 -0.906 . . . . 0.0 108.69 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -65.87 -35.55 80.95 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.415 -0.803 . . . . 0.0 108.909 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 284' ' ' VAL . . . . . 0.412 HG21 ' O ' ' B' ' 280' ' ' LEU . 58.3 t -61.8 -54.36 35.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.389 -0.819 . . . . 0.0 109.023 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -44.13 73.64 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.22 -0.925 . . . . 0.0 109.196 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 286' ' ' THR . . . . . . . . . . . . . 42.4 m -55.82 -44.92 78.38 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.377 -0.827 . . . . 0.0 108.988 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 287' ' ' LEU . . . . . . . . . . . . . 4.3 mt -59.42 -53.53 57.15 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.333 -0.854 . . . . 0.0 109.013 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.28 -42.54 31.08 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.385 -0.822 . . . . 0.0 109.149 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 289' ' ' ALA . . . . . . . . . . . . . . . -54.77 -61.32 2.38 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.294 -0.879 . . . . 0.0 109.183 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 290' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -48.28 -37.96 17.62 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.357 -0.839 . . . . 0.0 109.43 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.84 -46.46 87.66 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.168 -0.958 . . . . 0.0 109.09 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 1.1 m -64.9 -30.28 71.27 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.282 -0.886 . . . . 0.0 109.036 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -70.44 -50.46 38.07 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.372 -0.83 . . . . 0.0 109.248 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 294' ' ' LEU . . . . . 0.475 ' HB3' ' HB3' ' A' ' 294' ' ' LEU . 0.3 OUTLIER -64.95 -38.7 91.83 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.429 -0.794 . . . . 0.0 109.421 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 295' ' ' ALA . . . . . 0.433 ' HA ' HD23 ' A' ' 294' ' ' LEU . . . -63.84 -46.33 85.52 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.288 -0.883 . . . . 0.0 109.501 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 2.1 t -64.42 -48.07 76.75 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.322 -0.861 . . . . 0.0 109.557 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 53.6 m -57.86 -52.62 64.74 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.202 -0.936 . . . . 0.0 109.674 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -50.05 -53.95 23.52 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.24 -0.913 . . . . 0.0 109.56 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -53.84 -37.24 63.42 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.199 -0.938 . . . . 0.0 109.52 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.47 -42.46 96.3 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.261 -0.9 . . . . 0.0 109.38 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 301' ' ' LEU . . . . . 0.512 ' O ' ' CG2' ' B' ' 305' ' ' VAL . 40.4 mt -69.47 -23.71 63.69 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.26 -0.9 . . . . 0.0 109.719 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.15 -51.46 8.95 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.257 -0.902 . . . . 0.0 109.884 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -60.57 -31.2 70.34 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.115 -0.991 . . . . 0.0 109.835 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 304' ' ' GLN . . . . . 0.511 ' HG3' ' N ' ' B' ' 305' ' ' VAL . 3.6 pt20 -77.96 -41.06 37.39 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.097 -1.002 . . . . 0.0 109.588 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 305' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' B' ' 301' ' ' LEU . 61.1 t -58.62 -49.9 80.93 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.147 -0.971 . . . . 0.0 109.218 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -63.0 -39.3 94.35 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.243 -0.91 . . . . 0.0 109.13 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 307' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -66.02 -27.06 67.83 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.35 -0.844 . . . . 0.0 109.026 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 308' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.305 -1.339 0 O-C-N 121.392 -0.818 . . . . 0.0 109.238 179.901 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.065 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.77 -24.12 26.99 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.175 -1.191 . . . . 0.0 109.613 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 277' ' ' ILE . . . . . . . . . . . . . 2.6 mt -65.83 -30.37 49.83 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 O-C-N 121.267 -0.896 . . . . 0.0 109.361 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . -67.51 -34.24 76.72 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.161 -0.962 . . . . 0.0 109.23 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -70.92 -54.08 12.7 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.252 -0.905 . . . . 0.0 109.384 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 1.9 mt -52.37 -40.85 62.54 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.251 -0.905 . . . . 0.0 109.44 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.15 -48.06 83.33 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.287 -0.883 . . . . 0.0 109.355 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -62.5 -19.27 63.41 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.34 -0.85 . . . . 0.0 109.178 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.24 -43.97 26.85 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.279 -0.888 . . . . 0.0 109.359 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 284' ' ' VAL . . . . . . . . . . . . . 82.7 t -68.82 -26.06 31.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 121.201 -0.937 . . . . 0.0 108.877 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -74.61 -62.34 1.57 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.457 -0.777 . . . . 0.0 109.054 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . 44.0 m -50.45 -36.38 33.11 Favored 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.301 -0.874 . . . . 0.0 109.065 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 287' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' B' ' 287' ' ' LEU . 5.0 mt -61.95 -50.88 70.35 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.506 -0.746 . . . . 0.0 109.106 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -21.98 48.51 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.32 -0.863 . . . . 0.0 108.89 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 289' ' ' ALA . . . . . . . . . . . . . . . -71.02 -68.32 0.45 Allowed 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.395 -0.816 . . . . 0.0 109.556 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 290' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -59.82 -15.79 23.45 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.402 -0.811 . . . . 0.0 109.818 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 291' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 287' ' ' LEU . 0.6 OUTLIER -73.62 -53.2 11.03 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.203 -0.936 . . . . 0.0 109.462 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 1.5 t -67.0 -26.38 66.76 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.189 -0.944 . . . . 0.0 109.311 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.14 -60.91 2.22 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.311 -0.868 . . . . 0.0 109.606 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 12.9 mt -54.08 -39.42 66.31 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.218 -0.926 . . . . 0.0 109.483 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -57.82 -47.37 82.84 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.245 -0.909 . . . . 0.0 109.527 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 24.6 t -59.04 -59.3 5.69 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.289 -0.882 . . . . 0.0 109.69 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 45.4 m -51.48 -25.09 5.88 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.167 -0.958 . . . . 0.0 109.713 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 298' ' ' ALA . . . . . . . . . . . . . . . -70.3 -57.42 4.88 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.258 -0.901 . . . . 0.0 109.942 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 299' ' ' ASN . . . . . 0.497 ' OD1' ' N ' ' A' ' 300' ' ' MET . 29.9 p30 -63.17 -18.4 63.44 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.287 -0.883 . . . . 0.0 110.061 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 300' ' ' MET . . . . . 0.497 ' N ' ' OD1' ' A' ' 299' ' ' ASN . 1.1 mmt -79.28 -41.05 28.96 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.086 -1.009 . . . . 0.0 109.823 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . 0.448 ' O ' ' CG2' ' A' ' 305' ' ' VAL . 69.2 mt -73.38 -29.66 62.77 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.037 -1.039 . . . . 0.0 109.507 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.42 -48.35 28.25 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.32 -0.863 . . . . 0.0 109.441 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . 0.508 ' HG3' ' N ' ' A' ' 304' ' ' GLN . 12.3 pt-20 -59.07 -39.93 83.64 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.231 -0.918 . . . . 0.0 109.632 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 304' ' ' GLN . . . . . 0.508 ' N ' ' HG3' ' A' ' 303' ' ' GLU . 4.2 pt20 -70.91 -31.26 67.84 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.212 -0.93 . . . . 0.0 109.676 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 305' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' A' ' 301' ' ' LEU . 55.6 t -64.87 -40.76 90.16 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.29 0 O-C-N 121.065 -1.022 . . . . 0.0 109.135 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -68.12 -36.88 80.44 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.262 -0.899 . . . . 0.0 109.133 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 307' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -61.81 -37.87 86.03 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.19 -0.944 . . . . 0.0 109.101 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.303 -1.431 0 O-C-N 121.52 -0.737 . . . . 0.0 109.431 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.033 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.66 -23.61 27.4 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.156 -1.202 . . . . 0.0 109.667 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 277' ' ' ILE . . . . . . . . . . . . . 2.5 mt -66.36 -30.02 48.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 O-C-N 121.091 -1.005 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 278' ' ' ALA . . . . . . . . . . . . . . . -67.86 -34.09 76.01 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.267 -0.896 . . . . 0.0 109.29 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -70.7 -54.09 13.17 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.36 -0.838 . . . . 0.0 109.37 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 280' ' ' LEU . . . . . . . . . . . . . 2.0 mt -52.61 -40.93 63.22 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.267 -0.896 . . . . 0.0 109.339 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.13 -47.51 85.6 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.297 -0.877 . . . . 0.0 109.325 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -62.92 -19.27 64.07 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.354 -0.841 . . . . 0.0 109.222 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.36 -44.05 26.08 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.413 -0.805 . . . . 0.0 109.398 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 284' ' ' VAL . . . . . 0.4 HG12 HD13 ' A' ' 287' ' ' LEU . 82.3 t -68.64 -26.3 32.82 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 O-C-N 121.142 -0.974 . . . . 0.0 108.967 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -74.32 -62.38 1.54 Allowed 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.418 -0.801 . . . . 0.0 109.148 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 286' ' ' THR . . . . . . . . . . . . . 37.6 m -50.64 -35.86 32.63 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.272 -0.893 . . . . 0.0 109.016 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 287' ' ' LEU . . . . . 0.455 ' HB3' HD12 ' A' ' 287' ' ' LEU . 5.0 mt -62.36 -50.25 72.34 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.282 -0.886 . . . . 0.0 109.085 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -21.46 56.1 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.355 -0.84 . . . . 0.0 108.879 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 289' ' ' ALA . . . . . . . . . . . . . . . -71.64 -69.29 0.39 Allowed 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.469 -0.77 . . . . 0.0 109.53 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 290' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -58.74 -16.26 15.88 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.369 -0.832 . . . . 0.0 109.397 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -71.72 -56.2 6.24 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.387 -0.821 . . . . 0.0 109.487 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 1.6 t -65.96 -25.92 67.34 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.289 -0.882 . . . . 0.0 109.573 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -67.13 -60.76 2.34 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.14 -0.975 . . . . 0.0 109.598 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 294' ' ' LEU . . . . . . . . . . . . . 12.7 mt -54.07 -39.32 66.19 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.27 -0.894 . . . . 0.0 109.631 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -57.81 -47.44 82.59 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.11 -0.994 . . . . 0.0 109.588 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 28.1 t -58.81 -59.64 5.11 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.25 -0.906 . . . . 0.0 109.667 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 45.3 m -51.0 -25.59 4.92 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.258 -0.901 . . . . 0.0 109.745 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -69.98 -57.74 4.66 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.21 -0.931 . . . . 0.0 109.936 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 299' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' B' ' 300' ' ' MET . 30.2 p30 -62.59 -18.45 62.17 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.186 -0.946 . . . . 0.0 110.12 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 300' ' ' MET . . . . . 0.494 ' N ' ' OD1' ' B' ' 299' ' ' ASN . 1.2 mmt -79.59 -41.05 27.95 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.058 -1.026 . . . . 0.0 109.82 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 301' ' ' LEU . . . . . 0.445 ' O ' ' CG2' ' B' ' 305' ' ' VAL . 70.5 mt -73.13 -29.91 63.23 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.163 -0.96 . . . . 0.0 109.468 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.12 -48.8 27.12 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.223 -0.923 . . . . 0.0 109.573 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 303' ' ' GLU . . . . . 0.519 ' HG3' ' N ' ' B' ' 304' ' ' GLN . 12.4 pt-20 -58.55 -39.8 81.26 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.274 -0.891 . . . . 0.0 109.694 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 304' ' ' GLN . . . . . 0.519 ' N ' ' HG3' ' B' ' 303' ' ' GLU . 4.2 pt20 -71.08 -31.35 67.71 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.151 -0.968 . . . . 0.0 109.644 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 305' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' B' ' 301' ' ' LEU . 54.4 t -64.6 -40.97 90.89 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 O-C-N 121.101 -0.999 . . . . 0.0 109.031 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.19 80.7 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.319 -0.863 . . . . 0.0 109.185 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 307' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -61.28 -38.38 86.55 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.329 -0.857 . . . . 0.0 109.029 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 308' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.304 -1.37 0 O-C-N 121.348 -0.845 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.091 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -15.5 54.68 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.171 -1.194 . . . . 0.0 109.446 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 277' ' ' ILE . . . . . . . . . . . . . 20.7 mt -78.41 -48.49 22.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 121.273 -0.892 . . . . 0.0 109.356 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . -48.26 -40.14 23.73 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.15 -0.969 . . . . 0.0 109.427 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -51.94 9.93 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.228 -0.92 . . . . 0.0 109.542 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -47.81 -40.69 21.74 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.181 -0.949 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -71.95 -40.07 68.96 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.274 -0.891 . . . . 0.0 109.139 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.07 -38.15 64.99 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.224 -0.923 . . . . 0.0 108.96 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -58.07 4.23 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.341 -0.849 . . . . 0.0 109.025 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 284' ' ' VAL . . . . . 0.493 HG21 ' CG2' ' B' ' 284' ' ' VAL . 43.5 t -46.84 -28.5 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.401 -0.812 . . . . 0.0 109.059 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.18 -49.57 34.53 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.37 -0.831 . . . . 0.0 108.952 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -47.76 69.74 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.335 -0.853 . . . . 0.0 108.952 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 287' ' ' LEU . . . . . 0.425 HD23 ' HD2' ' B' ' 288' ' ' LYS . 4.0 mt -57.13 -46.87 82.31 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.26 -0.9 . . . . 0.0 109.39 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 288' ' ' LYS . . . . . 0.436 ' HD3' ' O ' ' A' ' 284' ' ' VAL . 0.0 OUTLIER -50.27 -52.39 36.75 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.252 -0.905 . . . . 0.0 109.042 179.811 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 289' ' ' ALA . . . . . . . . . . . . . . . -50.14 -64.72 0.72 Allowed 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.337 -0.852 . . . . 0.0 109.264 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 290' ' ' GLN . . . . . 0.427 ' HA ' ' OE1' ' A' ' 293' ' ' GLU . 2.0 mt-30 -48.59 -36.08 14.89 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.285 -0.884 . . . . 0.0 109.296 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -59.16 -66.27 0.53 Allowed 'General case' 0 C--N 1.307 -1.264 0 O-C-N 121.29 -0.881 . . . . 0.0 109.325 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 12.8 p -49.9 -43.97 49.84 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.211 -0.931 . . . . 0.0 109.408 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . 0.427 ' OE1' ' HA ' ' A' ' 290' ' ' GLN . 15.0 mt-10 -54.46 -69.81 0.12 Allowed 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.347 -0.845 . . . . 0.0 109.376 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 293' ' ' GLU . 2.9 mt -44.84 -55.11 5.68 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.345 -0.847 . . . . 0.0 109.682 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -47.92 -39.67 19.71 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.201 -0.937 . . . . 0.0 109.838 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 6.1 m -62.49 -60.16 3.93 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.199 -0.938 . . . . 0.0 109.514 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 4.7 m -47.16 -44.5 21.94 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.186 -0.946 . . . . 0.0 109.439 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 298' ' ' ALA . . . . . . . . . . . . . . . -65.27 -36.67 84.82 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.144 -0.972 . . . . 0.0 109.396 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -60.44 -54.79 41.38 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.323 -0.861 . . . . 0.0 109.375 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 300' ' ' MET . . . . . 0.515 ' O ' ' N ' ' A' ' 303' ' ' GLU . 0.2 OUTLIER -57.45 -51.78 68.03 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.2 -0.937 . . . . 0.0 109.193 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 300' ' ' MET . 16.0 mt -46.57 -37.77 8.53 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.206 -0.934 . . . . 0.0 108.89 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -75.33 -24.36 57.37 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.361 -0.837 . . . . 0.0 109.504 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 300' ' ' MET . 5.3 tp10 -72.37 -45.14 61.12 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.241 -0.912 . . . . 0.0 109.151 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 304' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 305' ' ' VAL . 0.9 OUTLIER -73.91 -28.36 61.5 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.267 -0.896 . . . . 0.0 109.212 179.793 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 305' ' ' VAL . . . . . 0.463 ' N ' ' HG3' ' A' ' 304' ' ' GLN . 51.4 t -73.74 -41.21 54.57 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 O-C-N 121.248 -0.908 . . . . 0.0 109.182 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.91 72.99 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.335 -0.853 . . . . 0.0 109.244 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 307' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 304' ' ' GLN . 0.0 OUTLIER -65.28 -29.95 70.77 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.192 -0.943 . . . . 0.0 109.067 179.762 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . 0.451 ' N ' ' OE1' ' A' ' 307' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.304 -1.385 0 O-C-N 121.278 -0.889 . . . . 0.0 109.128 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -1.013 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.05 -15.76 55.17 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.291 -1.123 . . . . 0.0 109.513 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 277' ' ' ILE . . . . . . . . . . . . . 21.2 mt -78.34 -48.47 22.68 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.211 -0.93 . . . . 0.0 109.355 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 278' ' ' ALA . . . . . . . . . . . . . . . -48.41 -39.83 23.88 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.147 -0.971 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -51.56 10.45 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.183 -0.948 . . . . 0.0 109.42 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 280' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -48.26 -40.63 25.3 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.186 -0.946 . . . . 0.0 109.374 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -71.85 -39.96 69.34 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.229 -0.92 . . . . 0.0 109.225 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.28 -38.26 65.67 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.262 -0.899 . . . . 0.0 108.929 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -58.08 4.28 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.414 -0.804 . . . . 0.0 109.047 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 284' ' ' VAL . . . . . 0.493 ' CG2' HG21 ' A' ' 284' ' ' VAL . 43.3 t -46.76 -28.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 O-C-N 121.348 -0.845 . . . . 0.0 109.12 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.07 -50.01 31.82 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.265 -0.897 . . . . 0.0 109.054 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 286' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -47.89 67.87 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.213 -0.929 . . . . 0.0 109.015 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 287' ' ' LEU . . . . . . . . . . . . . 4.0 mt -57.3 -46.8 82.8 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.388 -0.82 . . . . 0.0 109.294 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 288' ' ' LYS . . . . . 0.442 ' HD3' ' O ' ' B' ' 284' ' ' VAL . 0.0 OUTLIER -50.16 -52.32 36.32 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.248 -0.908 . . . . 0.0 109.011 179.747 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 289' ' ' ALA . . . . . . . . . . . . . . . -50.36 -65.48 0.55 Allowed 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.338 -0.851 . . . . 0.0 109.294 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 290' ' ' GLN . . . . . 0.431 ' HA ' ' OE1' ' B' ' 293' ' ' GLU . 2.0 mt-30 -48.21 -35.72 12.4 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.29 -0.881 . . . . 0.0 109.284 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -59.94 -64.79 0.82 Allowed 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.351 -0.843 . . . . 0.0 109.358 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 12.3 p -51.35 -43.68 61.87 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.125 -0.985 . . . . 0.0 109.21 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 293' ' ' GLU . . . . . 0.431 ' OE1' ' HA ' ' B' ' 290' ' ' GLN . 15.0 mt-10 -54.48 -69.49 0.13 Allowed 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.303 -0.873 . . . . 0.0 109.417 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 294' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' B' ' 293' ' ' GLU . 2.9 mt -44.93 -54.62 6.29 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.343 -0.848 . . . . 0.0 109.66 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -48.16 -39.61 21.32 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.322 -0.861 . . . . 0.0 109.835 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 5.8 m -62.72 -60.1 3.97 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.085 -1.01 . . . . 0.0 109.58 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 4.3 m -47.25 -44.16 22.66 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.184 -0.947 . . . . 0.0 109.414 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.52 83.83 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.286 -0.884 . . . . 0.0 109.239 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -60.53 -55.27 35.49 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.242 -0.911 . . . . 0.0 109.354 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 300' ' ' MET . . . . . 0.514 ' O ' ' N ' ' B' ' 303' ' ' GLU . 0.2 OUTLIER -57.04 -51.58 68.7 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.214 -0.928 . . . . 0.0 109.164 179.796 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 301' ' ' LEU . . . . . 0.41 HD11 HD11 ' A' ' 301' ' ' LEU . 15.9 mt -46.56 -37.81 8.56 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.107 -0.996 . . . . 0.0 109.044 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -75.38 -24.04 57.17 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.302 -0.874 . . . . 0.0 109.448 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 303' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' B' ' 300' ' ' MET . 5.3 tp10 -72.66 -45.03 60.96 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.307 -0.87 . . . . 0.0 109.085 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 304' ' ' GLN . . . . . 0.461 ' O ' ' HG3' ' B' ' 307' ' ' GLN . 0.9 OUTLIER -74.07 -28.17 61.26 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.326 -0.859 . . . . 0.0 109.243 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 305' ' ' VAL . . . . . 0.442 ' N ' ' HG3' ' B' ' 304' ' ' GLN . 53.6 t -73.82 -41.41 53.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.249 -0.907 . . . . 0.0 109.174 179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -62.81 -49.94 72.95 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.348 -0.845 . . . . 0.0 109.227 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 307' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' B' ' 304' ' ' GLN . 0.0 OUTLIER -65.2 -30.01 70.87 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.209 -0.932 . . . . 0.0 109.096 179.679 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 308' ' ' LEU . . . . . 0.447 ' N ' ' OE1' ' B' ' 307' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.305 -1.358 0 O-C-N 121.324 -0.86 . . . . 0.0 109.003 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.051 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -93.72 -27.46 16.5 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.209 -1.171 . . . . 0.0 109.365 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 277' ' ' ILE . . . . . 0.433 ' CD1' ' N ' ' A' ' 278' ' ' ALA . 2.1 pp -65.52 -49.59 77.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 O-C-N 121.352 -0.843 . . . . 0.0 109.958 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 278' ' ' ALA . . . . . 0.433 ' N ' ' CD1' ' A' ' 277' ' ' ILE . . . -62.78 -25.54 68.28 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.145 -0.972 . . . . 0.0 109.367 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 279' ' ' ARG . . . . . 0.404 ' HD3' ' HA ' ' A' ' 279' ' ' ARG . 15.0 mmt180 -70.35 -65.19 0.76 Allowed 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.191 -0.943 . . . . 0.0 109.176 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.38 -22.12 4.31 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.234 -0.916 . . . . 0.0 108.92 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . 0.431 ' HA ' ' OE1' ' A' ' 281' ' ' GLU . 4.5 mm-40 -68.16 -53.38 25.52 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.431 -0.793 . . . . 0.0 109.098 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -56.66 -33.23 66.15 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.155 -0.966 . . . . 0.0 108.813 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -65.58 -42.12 92.12 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.36 -0.838 . . . . 0.0 108.997 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 284' ' ' VAL . . . . . 0.413 HG23 HG21 ' B' ' 284' ' ' VAL . 53.3 t -61.51 -30.51 48.3 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 O-C-N 121.388 -0.82 . . . . 0.0 108.913 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -66.14 -54.71 22.14 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.255 -0.903 . . . . 0.0 109.386 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.58 -46.61 63.56 Favored 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.147 -0.971 . . . . 0.0 109.014 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 287' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.16 -46.94 65.68 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 121.218 -0.926 . . . . 0.0 108.847 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 288' ' ' LYS . . . . . 0.406 ' HD3' ' O ' ' A' ' 284' ' ' VAL . 1.5 mptp? -53.64 -42.33 67.7 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.401 -0.812 . . . . 0.0 109.066 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 289' ' ' ALA . . . . . . . . . . . . . . . -54.76 -58.07 9.0 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.282 -0.886 . . . . 0.0 109.597 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 290' ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' ' 293' ' ' GLU . 34.6 mt-30 -50.14 -35.73 27.1 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.411 -0.806 . . . . 0.0 109.84 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -60.44 -49.36 77.87 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.138 -0.976 . . . . 0.0 109.163 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.12 -30.56 70.45 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.098 -1.001 . . . . 0.0 109.008 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 293' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 290' ' ' GLN . 12.4 mt-10 -61.27 -61.25 2.69 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.299 -0.876 . . . . 0.0 109.25 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.02 -28.04 62.14 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.324 -0.86 . . . . 0.0 109.494 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -61.24 -46.81 88.84 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.28 -0.887 . . . . 0.0 109.556 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -43.16 91.91 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.289 -0.882 . . . . 0.0 109.511 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 67.7 m -54.33 -42.01 69.7 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.188 -0.945 . . . . 0.0 109.719 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 298' ' ' ALA . . . . . . . . . . . . . . . -63.02 -55.25 27.28 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.294 -0.879 . . . . 0.0 109.678 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -57.3 -19.25 20.86 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.074 -1.016 . . . . 0.0 109.523 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 300' ' ' MET . . . . . 0.506 ' O ' ' CG ' ' A' ' 303' ' ' GLU . 0.0 OUTLIER -75.25 -61.85 1.76 Allowed 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.25 -0.906 . . . . 0.0 109.256 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 301' ' ' LEU . . . . . 0.466 ' O ' ' HG2' ' A' ' 304' ' ' GLN . 4.7 mt -59.41 -19.33 46.34 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.235 -0.916 . . . . 0.0 109.198 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -79.02 -38.97 35.26 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.179 -0.951 . . . . 0.0 109.958 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 303' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 300' ' ' MET . 7.8 pt-20 -69.93 -32.39 70.64 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.18 -0.95 . . . . 0.0 109.487 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 304' ' ' GLN . . . . . 0.528 ' HG3' ' N ' ' A' ' 305' ' ' VAL . 13.4 pt20 -75.82 -39.66 56.37 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.179 -0.951 . . . . 0.0 109.52 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 305' ' ' VAL . . . . . 0.528 ' N ' ' HG3' ' A' ' 304' ' ' GLN . 53.5 t -71.1 -26.82 27.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 O-C-N 121.205 -0.935 . . . . 0.0 109.357 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -71.81 -51.37 22.86 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.183 -0.948 . . . . 0.0 108.969 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 307' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 303' ' ' GLU . 2.6 pt20 -66.69 -22.35 66.08 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.376 -0.827 . . . . 0.0 109.099 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . 0.437 ' N ' ' HG3' ' A' ' 307' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.305 -1.338 0 O-C-N 121.344 -0.848 . . . . 0.0 109.419 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -1.123 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -94.75 -27.38 15.83 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.36 -1.083 . . . . 0.0 109.372 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 277' ' ' ILE . . . . . 0.425 ' CD1' ' N ' ' B' ' 278' ' ' ALA . 2.2 pp -65.62 -49.23 79.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 O-C-N 121.228 -0.92 . . . . 0.0 110.051 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 278' ' ' ALA . . . . . 0.425 ' N ' ' CD1' ' B' ' 277' ' ' ILE . . . -62.84 -25.84 68.47 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.071 -1.018 . . . . 0.0 109.215 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 279' ' ' ARG . . . . . 0.402 ' HD3' ' HA ' ' B' ' 279' ' ' ARG . 15.0 mmt180 -70.12 -65.51 0.71 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.227 -0.921 . . . . 0.0 109.136 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 280' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.02 -22.32 3.93 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.224 -0.922 . . . . 0.0 108.921 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 281' ' ' GLU . . . . . 0.429 ' HA ' ' OE1' ' B' ' 281' ' ' GLU . 4.4 mm-40 -68.01 -53.79 23.26 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.452 -0.78 . . . . 0.0 109.153 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -56.27 -33.13 65.19 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.194 -0.941 . . . . 0.0 108.877 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -65.69 -42.05 91.66 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.357 -0.84 . . . . 0.0 108.928 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 284' ' ' VAL . . . . . 0.413 HG21 HG23 ' A' ' 284' ' ' VAL . 54.7 t -61.42 -30.6 48.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.331 -0.855 . . . . 0.0 108.792 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -66.15 -55.45 16.31 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.472 -0.768 . . . . 0.0 109.272 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 286' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.85 -46.61 60.22 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.201 -0.937 . . . . 0.0 109.039 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 287' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.08 -46.95 65.39 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.368 -0.833 . . . . 0.0 108.76 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 288' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' B' ' 284' ' ' VAL . 1.5 mptp? -53.87 -42.35 68.5 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.347 -0.846 . . . . 0.0 109.064 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 289' ' ' ALA . . . . . . . . . . . . . . . -54.26 -58.01 9.02 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.376 -0.828 . . . . 0.0 109.558 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 290' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -51.11 -33.29 25.77 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.445 -0.784 . . . . 0.0 109.732 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -61.59 -47.59 84.78 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.23 -0.919 . . . . 0.0 109.264 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.05 -30.39 71.47 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.284 -0.885 . . . . 0.0 109.31 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -60.99 -61.66 2.42 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.283 -0.886 . . . . 0.0 109.302 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 294' ' ' LEU . . . . . . . . . . . . . 97.6 mt -56.73 -28.24 60.7 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.345 -0.847 . . . . 0.0 109.491 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -60.99 -47.12 87.95 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.334 -0.854 . . . . 0.0 109.523 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.11 -43.79 90.85 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.228 -0.92 . . . . 0.0 109.513 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 66.4 m -53.56 -42.04 67.12 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.273 -0.892 . . . . 0.0 109.668 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -63.08 -55.62 23.92 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.16 -0.962 . . . . 0.0 109.582 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -56.96 -19.04 15.89 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.254 -0.904 . . . . 0.0 109.613 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 300' ' ' MET . . . . . 0.502 ' O ' ' CG ' ' B' ' 303' ' ' GLU . 0.0 OUTLIER -75.18 -61.91 1.74 Allowed 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.158 -0.964 . . . . 0.0 109.317 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 301' ' ' LEU . . . . . 0.464 ' O ' ' HG2' ' B' ' 304' ' ' GLN . 4.5 mt -59.5 -19.15 45.95 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.201 -0.937 . . . . 0.0 109.147 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -79.05 -38.93 35.23 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.252 -0.905 . . . . 0.0 109.824 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 303' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' B' ' 300' ' ' MET . 8.0 pt-20 -70.02 -32.38 70.51 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.073 -1.017 . . . . 0.0 109.524 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 304' ' ' GLN . . . . . 0.511 ' HG3' ' N ' ' B' ' 305' ' ' VAL . 13.6 pt20 -75.89 -39.78 55.75 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.262 -0.899 . . . . 0.0 109.383 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 305' ' ' VAL . . . . . 0.511 ' N ' ' HG3' ' B' ' 304' ' ' GLN . 53.2 t -70.83 -26.89 28.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.367 -0.833 . . . . 0.0 109.349 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -71.79 -51.35 23.02 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.285 -0.884 . . . . 0.0 109.1 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 307' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' B' ' 303' ' ' GLU . 2.7 pt20 -66.7 -22.28 66.07 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.159 -0.963 . . . . 0.0 109.123 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 308' ' ' LEU . . . . . 0.435 ' N ' ' HG3' ' B' ' 307' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.304 -1.38 0 O-C-N 121.414 -0.804 . . . . 0.0 109.433 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.796 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 273' ' ' CYS . . . . . . . . . . . . . 61.5 m -58.58 162.93 3.49 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.329 -0.857 . . . . 0.0 109.462 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 274' ' ' GLY . . . . . . . . . . . . . . . -178.73 71.5 0.07 OUTLIER Glycine 0 C--N 1.304 -1.238 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . 179.35 -56.68 0.08 OUTLIER Glycine 0 C--N 1.305 -1.191 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -70.19 -24.94 63.21 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.295 -1.12 . . . . 0.0 109.584 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 277' ' ' ILE . . . . . . . . . . . . . 5.1 mp -71.71 -62.49 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 O-C-N 121.27 -0.894 . . . . 0.0 109.466 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 281' ' ' GLU . . . -47.64 -41.94 23.31 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.37 -0.831 . . . . 0.0 109.565 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -58.26 9.4 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 121.138 -0.976 . . . . 0.0 109.407 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 13.4 mt -47.97 -28.47 2.76 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.138 -0.976 . . . . 0.0 109.416 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 278' ' ' ALA . 0.5 OUTLIER -70.78 -52.61 19.56 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.287 -0.883 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -52.85 -36.5 59.02 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.254 -0.904 . . . . 0.0 109.066 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.35 -46.73 75.77 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.397 -0.814 . . . . 0.0 109.214 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 284' ' ' VAL . . . . . 0.465 HG11 HD12 ' B' ' 287' ' ' LEU . 78.4 t -61.63 -19.2 20.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.299 -0.876 . . . . 0.0 109.143 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -77.72 -47.61 18.69 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.293 -0.879 . . . . 0.0 109.281 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . 3.5 m -64.66 -31.7 73.04 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.252 -0.905 . . . . 0.0 109.403 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 287' ' ' LEU . . . . . 0.468 HD12 HG11 ' B' ' 284' ' ' VAL . 56.1 mt -69.84 -51.73 30.97 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.321 -0.862 . . . . 0.0 109.53 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -34.19 70.24 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.217 -0.927 . . . . 0.0 109.427 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 289' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 290' ' ' GLN . . . -64.24 -68.15 0.37 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.285 -0.885 . . . . 0.0 109.601 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 290' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 289' ' ' ALA . 10.0 mt-30 -43.77 -36.84 2.44 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.504 -0.748 . . . . 0.0 109.56 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -58.08 -52.12 66.87 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.311 -0.868 . . . . 0.0 109.352 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 27.4 m -61.77 -23.75 66.39 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 121.256 -0.902 . . . . 0.0 109.373 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.21 -68.34 0.41 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.23 -0.919 . . . . 0.0 109.462 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' B' ' 295' ' ' ALA . 1.8 mt -56.02 -19.3 12.13 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.204 -0.935 . . . . 0.0 109.692 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 295' ' ' ALA . . . . . 0.416 ' HA ' HD23 ' B' ' 294' ' ' LEU . . . -71.96 -49.97 32.89 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.083 -1.011 . . . . 0.0 109.315 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.48 -35.79 82.07 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.215 -0.928 . . . . 0.0 109.276 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 9.3 m -60.59 -51.31 69.95 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.378 -0.826 . . . . 0.0 109.215 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 298' ' ' ALA . . . . . . . . . . . . . . . -61.96 -28.99 69.94 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.232 -0.918 . . . . 0.0 109.293 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -68.52 -34.49 75.97 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.213 -0.929 . . . . 0.0 109.375 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -43.76 58.79 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.196 -0.94 . . . . 0.0 109.464 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . 0.468 ' HB3' ' HB3' ' B' ' 301' ' ' LEU . 2.9 mt -68.73 -20.54 64.39 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.375 -0.828 . . . . 0.0 109.541 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 20.6 mtt180 -78.68 -53.77 6.8 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.217 -0.927 . . . . 0.0 109.512 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 307' ' ' GLN . 14.5 pt-20 -60.34 -36.71 78.6 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.263 -0.898 . . . . 0.0 109.725 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 304' ' ' GLN . . . . . 0.508 ' HG3' ' N ' ' A' ' 305' ' ' VAL . 3.0 pt20 -73.6 -41.32 63.02 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.065 -1.022 . . . . 0.0 109.663 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 305' ' ' VAL . . . . . 0.508 ' N ' ' HG3' ' A' ' 304' ' ' GLN . 55.8 t -69.63 -16.15 20.15 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 O-C-N 121.256 -0.902 . . . . 0.0 109.11 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 306' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' A' ' 310' ' ' GLN . . . -81.47 -48.86 11.31 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.356 -0.84 . . . . 0.0 109.196 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 307' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 303' ' ' GLU . 33.9 mt-30 -63.64 -36.92 85.41 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.239 -0.913 . . . . 0.0 109.01 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.64 -47.01 64.88 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.34 -0.85 . . . . 0.0 109.23 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -51.95 -45.53 64.41 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.354 -0.841 . . . . 0.0 109.36 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 310' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 306' ' ' ALA . 27.3 mm100 -59.2 -41.86 89.54 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.403 -0.811 . . . . 0.0 109.538 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 311' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -29.34 70.62 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.159 -0.963 . . . . 0.0 109.515 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 312' ' ' VAL . . . . . 0.417 HG11 ' O ' ' A' ' 312' ' ' VAL . 70.8 t -78.51 -22.82 13.21 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 O-C-N 121.229 -0.92 . . . . 0.0 109.472 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 313' ' ' MET . . . . . . . . . . . . . 3.3 mmt -67.75 92.69 0.35 Allowed 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.228 -0.92 . . . . 0.0 109.344 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 314' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -176.46 51.21 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.304 -0.873 . . . . 0.0 109.476 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 315' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--N 1.305 -1.326 0 CA-C-O 117.968 -1.015 . . . . 0.0 109.402 -179.623 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.797 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 273' ' ' CYS . . . . . . . . . . . . . 61.3 m -59.38 162.66 4.57 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.303 -0.873 . . . . 0.0 109.578 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -178.3 71.79 0.07 OUTLIER Glycine 0 C--N 1.305 -1.148 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . 178.81 -56.9 0.09 OUTLIER Glycine 0 C--N 1.306 -1.103 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -69.95 -24.52 63.36 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.241 -1.152 . . . . 0.0 109.632 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 277' ' ' ILE . . . . . . . . . . . . . 5.1 mp -72.22 -62.65 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 O-C-N 121.142 -0.974 . . . . 0.0 109.437 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 278' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' B' ' 281' ' ' GLU . . . -47.66 -41.84 23.23 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.269 -0.894 . . . . 0.0 109.581 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -58.13 9.96 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.246 -0.909 . . . . 0.0 109.437 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 280' ' ' LEU . . . . . . . . . . . . . 13.6 mt -48.15 -28.43 2.95 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.152 -0.967 . . . . 0.0 109.351 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 281' ' ' GLU . . . . . 0.453 ' HB2' ' O ' ' B' ' 278' ' ' ALA . 0.5 OUTLIER -70.69 -52.94 17.77 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.298 -0.877 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -52.45 -36.68 55.26 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.158 -0.964 . . . . 0.0 109.061 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.13 -46.92 75.83 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.407 -0.808 . . . . 0.0 109.264 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 284' ' ' VAL . . . . . 0.468 HG11 HD12 ' A' ' 287' ' ' LEU . 79.0 t -61.64 -18.93 19.92 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 O-C-N 121.275 -0.89 . . . . 0.0 109.238 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -77.97 -47.4 18.65 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.327 -0.858 . . . . 0.0 109.368 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 286' ' ' THR . . . . . . . . . . . . . 3.5 m -64.74 -32.22 73.8 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.299 -0.876 . . . . 0.0 109.372 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 287' ' ' LEU . . . . . 0.465 HD12 HG11 ' A' ' 284' ' ' VAL . 55.2 mt -69.41 -51.71 33.82 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.238 -0.913 . . . . 0.0 109.518 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -33.87 70.11 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.215 -0.928 . . . . 0.0 109.5 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 289' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' B' ' 290' ' ' GLN . . . -64.51 -68.22 0.37 Allowed 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.25 -0.906 . . . . 0.0 109.676 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 290' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' B' ' 289' ' ' ALA . 9.6 mt-30 -43.67 -34.45 1.48 Allowed 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.512 -0.742 . . . . 0.0 109.61 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -60.01 -54.35 47.12 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.356 -0.84 . . . . 0.0 109.184 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 21.9 m -59.35 -23.16 62.3 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.32 -0.862 . . . . 0.0 109.341 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -70.15 -68.62 0.41 Allowed 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.29 -0.881 . . . . 0.0 109.535 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 294' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 295' ' ' ALA . 1.9 mt -56.11 -18.93 11.19 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.307 -0.871 . . . . 0.0 109.683 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 295' ' ' ALA . . . . . 0.424 ' HA ' HD23 ' A' ' 294' ' ' LEU . . . -72.29 -49.92 31.02 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.164 -0.96 . . . . 0.0 109.376 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -36.16 83.3 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.181 -0.949 . . . . 0.0 109.205 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 9.5 m -60.21 -51.67 68.59 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.242 -0.911 . . . . 0.0 109.246 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -61.71 -29.18 69.93 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.238 -0.914 . . . . 0.0 109.307 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -68.37 -34.56 76.28 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.313 -0.867 . . . . 0.0 109.39 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -43.51 59.98 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.311 -0.868 . . . . 0.0 109.464 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 301' ' ' LEU . . . . . 0.468 ' HB3' ' HB3' ' A' ' 301' ' ' LEU . 2.8 mt -69.24 -20.3 63.94 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.328 -0.857 . . . . 0.0 109.544 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -78.83 -53.01 7.53 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.31 -0.869 . . . . 0.0 109.488 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 303' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' B' ' 307' ' ' GLN . 14.5 pt-20 -60.98 -36.78 80.34 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.262 -0.899 . . . . 0.0 109.735 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 304' ' ' GLN . . . . . 0.488 ' HG3' ' N ' ' B' ' 305' ' ' VAL . 3.0 pt20 -73.62 -41.1 63.24 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.165 -0.96 . . . . 0.0 109.664 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 305' ' ' VAL . . . . . 0.488 ' N ' ' HG3' ' B' ' 304' ' ' GLN . 54.7 t -69.72 -16.29 20.24 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 121.239 -0.913 . . . . 0.0 109.167 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' B' ' 310' ' ' GLN . . . -81.54 -48.62 11.57 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.331 -0.855 . . . . 0.0 109.294 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 307' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' B' ' 303' ' ' GLU . 33.9 mt-30 -63.81 -37.08 86.06 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.206 -0.934 . . . . 0.0 108.934 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 308' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.48 -46.44 66.62 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.401 -0.812 . . . . 0.0 109.198 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 309' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -52.41 -45.74 66.02 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.295 -0.878 . . . . 0.0 109.344 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 310' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' B' ' 306' ' ' ALA . 26.5 mm100 -59.09 -41.9 89.16 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.314 -0.866 . . . . 0.0 109.614 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 311' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -29.24 70.58 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.224 -0.923 . . . . 0.0 109.513 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 312' ' ' VAL . . . . . 0.41 ' O ' HG11 ' B' ' 312' ' ' VAL . 72.5 t -78.62 -23.1 13.12 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 O-C-N 121.246 -0.908 . . . . 0.0 109.446 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 3.3 mmt -67.42 92.28 0.29 Allowed 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.201 -0.937 . . . . 0.0 109.389 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 314' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -176.1 51.46 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.247 -0.908 . . . . 0.0 109.467 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 315' ' ' TYR . . . . . . . . . . . . . 22.6 t80 . . . . . 0 C--N 1.305 -1.339 0 CA-C-O 118.012 -0.994 . . . . 0.0 109.388 -179.86 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.733 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 273' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.92 96.21 3.87 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.265 -0.897 . . . . 0.0 109.421 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 274' ' ' GLY . . . . . . . . . . . . . . . 159.18 -29.99 0.42 Allowed Glycine 0 C--N 1.306 -1.1 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . -104.83 -22.67 8.26 Favored Glycine 0 C--N 1.305 -1.168 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 276' ' ' ARG . . . . . 0.417 ' NH2' ' HG2' ' A' ' 276' ' ' ARG . 0.0 OUTLIER -90.48 -22.55 21.32 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.168 -1.195 . . . . 0.0 109.354 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 277' ' ' ILE . . . . . . . . . . . . . 4.6 mt -72.49 -35.5 51.5 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 121.268 -0.895 . . . . 0.0 109.452 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . -61.31 -48.84 79.53 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.174 -0.954 . . . . 0.0 109.222 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -63.32 -47.1 83.64 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.328 -0.858 . . . . 0.0 109.412 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 5.1 mt -54.04 -45.81 71.72 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.347 -0.845 . . . . 0.0 109.721 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.36 -48.98 78.83 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.175 -0.953 . . . . 0.0 109.549 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.69 -29.63 69.44 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.227 -0.921 . . . . 0.0 109.127 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.66 -49.22 41.84 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.311 -0.868 . . . . 0.0 109.543 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 284' ' ' VAL . . . . . . . . . . . . . 98.5 t -60.53 -27.26 39.87 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.26 -0.9 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -52.27 22.56 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.208 -0.932 . . . . 0.0 109.289 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 286' ' ' THR . . . . . 0.418 ' O ' ' HB1' ' A' ' 289' ' ' ALA . 0.0 OUTLIER -55.24 -47.15 75.81 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.27 -0.894 . . . . 0.0 109.336 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 287' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.25 -55.72 19.43 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.285 -0.885 . . . . 0.0 109.134 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.49 -37.92 41.3 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.217 -0.927 . . . . 0.0 109.184 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 289' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 286' ' ' THR . . . -55.17 -64.08 0.95 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.32 -0.862 . . . . 0.0 109.373 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 290' ' ' GLN . . . . . 0.431 ' HA ' ' HB2' ' A' ' 293' ' ' GLU . 27.9 mt-30 -48.23 -41.99 29.02 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.366 -0.834 . . . . 0.0 109.409 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -52.22 -62.03 1.9 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.38 -0.825 . . . . 0.0 109.609 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.55 -24.92 66.97 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.22 -0.925 . . . . 0.0 109.638 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 290' ' ' GLN . 17.8 mt-10 -70.32 -75.92 0.11 Allowed 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.183 -0.948 . . . . 0.0 109.631 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 1.2 mt -51.42 -46.54 62.97 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.228 -0.92 . . . . 0.0 109.771 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 295' ' ' ALA . . . . . 0.401 ' HA ' HD21 ' B' ' 294' ' ' LEU . . . -47.9 -59.09 3.6 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.122 -0.986 . . . . 0.0 109.609 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.64 -48.78 39.4 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.264 -0.898 . . . . 0.0 109.673 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 6.7 m -56.17 -53.62 54.96 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.196 -0.94 . . . . 0.0 109.513 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 298' ' ' ALA . . . . . . . . . . . . . . . -57.82 -26.09 61.52 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.228 -0.92 . . . . 0.0 109.463 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -70.8 -50.12 39.08 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.25 -0.906 . . . . 0.0 109.617 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 300' ' ' MET . . . . . 0.44 ' O ' ' HG2' ' A' ' 304' ' ' GLN . 41.2 ttm -64.74 -52.75 55.42 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.248 -0.907 . . . . 0.0 109.68 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 74.4 mt -46.89 -56.8 5.72 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.235 -0.916 . . . . 0.0 109.689 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -37.99 64.97 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.234 -0.916 . . . . 0.0 109.741 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 307' ' ' GLN . 1.7 mm-40 -61.66 -42.6 99.14 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.143 -0.973 . . . . 0.0 109.696 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 304' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 300' ' ' MET . 33.9 mm-40 -65.19 -60.64 2.78 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.132 -0.98 . . . . 0.0 109.143 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 305' ' ' VAL . . . . . 0.411 ' CG2' ' CG2' ' B' ' 305' ' ' VAL . 4.5 t -53.5 -24.84 9.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.271 -0.893 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 306' ' ' ALA . . . . . 0.494 ' O ' ' CG ' ' A' ' 310' ' ' GLN . . . -74.92 -45.58 41.61 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.314 -0.866 . . . . 0.0 109.511 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 307' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 303' ' ' GLU . 3.2 pt20 -76.86 -17.98 58.64 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.334 -0.854 . . . . 0.0 109.388 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.66 -49.59 8.39 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.338 -0.851 . . . . 0.0 109.314 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -70.56 -45.01 66.23 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.247 -0.908 . . . . 0.0 109.316 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 310' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 306' ' ' ALA . 9.4 mm100 -54.27 -41.19 68.56 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.283 -0.886 . . . . 0.0 109.306 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 311' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -60.02 -36.59 77.57 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.263 -0.898 . . . . 0.0 109.686 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 312' ' ' VAL . . . . . . . . . . . . . 18.0 t -77.67 -46.31 27.45 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 O-C-N 121.268 -0.895 . . . . 0.0 109.66 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 313' ' ' MET . . . . . 0.46 ' O ' ' O ' ' A' ' 314' ' ' ASN . 0.4 OUTLIER -81.38 125.35 30.29 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.196 -0.94 . . . . 0.0 109.53 -179.853 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 314' ' ' ASN . . . . . 0.46 ' O ' ' O ' ' A' ' 313' ' ' MET . 1.6 t-20 56.36 165.18 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.247 -0.908 . . . . 0.0 109.441 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 315' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.307 -1.254 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.414 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.78 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 273' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.32 96.05 3.92 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.299 -0.876 . . . . 0.0 109.446 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 159.51 -30.89 0.42 Allowed Glycine 0 C--N 1.305 -1.163 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . -104.19 -22.72 8.52 Favored Glycine 0 C--N 1.304 -1.211 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 276' ' ' ARG . . . . . 0.405 ' NH2' ' HG2' ' B' ' 276' ' ' ARG . 0.0 OUTLIER -90.12 -23.34 21.39 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.179 -1.189 . . . . 0.0 109.428 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 277' ' ' ILE . . . . . . . . . . . . . 4.7 mt -71.73 -35.45 55.45 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 O-C-N 121.309 -0.869 . . . . 0.0 109.445 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 278' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.01 78.66 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.169 -0.957 . . . . 0.0 109.268 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -63.19 -46.98 84.55 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.259 -0.901 . . . . 0.0 109.418 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 280' ' ' LEU . . . . . . . . . . . . . 5.1 mt -54.23 -45.51 72.32 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.231 -0.918 . . . . 0.0 109.656 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.67 -49.03 78.16 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.167 -0.958 . . . . 0.0 109.504 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -29.35 69.17 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.219 -0.926 . . . . 0.0 109.172 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.94 -49.04 40.96 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.374 -0.829 . . . . 0.0 109.513 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 284' ' ' VAL . . . . . . . . . . . . . 98.4 t -60.76 -27.92 41.93 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 O-C-N 121.219 -0.925 . . . . 0.0 109.267 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -52.3 25.54 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.264 -0.897 . . . . 0.0 109.295 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 286' ' ' THR . . . . . 0.415 ' O ' ' HB1' ' B' ' 289' ' ' ALA . 0.0 OUTLIER -55.01 -47.78 74.24 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.16 -0.963 . . . . 0.0 109.323 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 287' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.69 -55.72 17.88 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.203 -0.935 . . . . 0.0 109.139 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.66 -37.32 40.16 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.343 -0.848 . . . . 0.0 109.254 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 289' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' B' ' 286' ' ' THR . . . -55.88 -63.55 1.14 Allowed 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.382 -0.824 . . . . 0.0 109.486 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 290' ' ' GLN . . . . . 0.432 ' HA ' ' HB2' ' B' ' 293' ' ' GLU . 27.5 mt-30 -48.02 -44.12 30.67 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.323 -0.861 . . . . 0.0 109.563 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -51.02 -64.35 0.84 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.224 -0.922 . . . . 0.0 109.633 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.16 -25.78 61.91 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.248 -0.907 . . . . 0.0 109.512 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 293' ' ' GLU . . . . . 0.432 ' HB2' ' HA ' ' B' ' 290' ' ' GLN . 17.8 mt-10 -70.16 -75.43 0.12 Allowed 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.249 -0.907 . . . . 0.0 109.571 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 294' ' ' LEU . . . . . 0.401 HD21 ' HA ' ' A' ' 295' ' ' ALA . 1.2 mt -52.36 -45.91 65.92 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.345 -0.847 . . . . 0.0 109.771 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -48.12 -58.93 3.82 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.131 -0.981 . . . . 0.0 109.537 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.78 -48.86 40.76 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.23 -0.919 . . . . 0.0 109.611 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 6.5 m -55.97 -53.79 52.64 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.214 -0.929 . . . . 0.0 109.457 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -57.56 -26.25 61.15 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.165 -0.959 . . . . 0.0 109.494 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -71.0 -50.17 37.18 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.331 -0.856 . . . . 0.0 109.595 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 300' ' ' MET . . . . . 0.446 ' O ' ' HG2' ' B' ' 304' ' ' GLN . 40.9 ttm -64.65 -52.5 56.98 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.203 -0.936 . . . . 0.0 109.674 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 70.9 mt -47.31 -56.75 6.22 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.349 -0.844 . . . . 0.0 109.708 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -37.93 64.63 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.212 -0.93 . . . . 0.0 109.687 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 303' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' B' ' 307' ' ' GLN . 1.7 mm-40 -61.79 -42.73 99.38 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.212 -0.93 . . . . 0.0 109.717 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 304' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' B' ' 300' ' ' MET . 33.4 mm-40 -65.2 -60.54 2.89 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.112 -0.992 . . . . 0.0 109.184 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 305' ' ' VAL . . . . . 0.411 ' CG2' ' CG2' ' A' ' 305' ' ' VAL . 4.5 t -53.28 -25.44 10.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 O-C-N 121.285 -0.884 . . . . 0.0 109.388 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . 0.481 ' O ' ' CG ' ' B' ' 310' ' ' GLN . . . -74.38 -46.02 43.07 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.239 -0.913 . . . . 0.0 109.572 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 307' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' B' ' 303' ' ' GLU . 3.2 pt20 -76.2 -17.94 59.3 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.251 -0.906 . . . . 0.0 109.392 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 308' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.94 -49.7 8.12 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.221 -0.924 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 309' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -70.37 -45.29 66.33 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.38 -0.825 . . . . 0.0 109.304 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 310' ' ' GLN . . . . . 0.481 ' CG ' ' O ' ' B' ' 306' ' ' ALA . 9.1 mm100 -54.02 -40.93 67.48 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.145 -0.972 . . . . 0.0 109.25 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 311' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -60.26 -36.56 78.07 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.256 -0.902 . . . . 0.0 109.583 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 312' ' ' VAL . . . . . . . . . . . . . 18.3 t -77.6 -46.77 27.06 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 O-C-N 121.297 -0.877 . . . . 0.0 109.61 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 313' ' ' MET . . . . . 0.454 ' O ' ' O ' ' B' ' 314' ' ' ASN . 0.5 OUTLIER -80.89 125.48 30.16 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.222 -0.924 . . . . 0.0 109.582 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 314' ' ' ASN . . . . . 0.454 ' O ' ' O ' ' B' ' 313' ' ' MET . 1.6 t-20 56.43 165.25 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.247 -0.908 . . . . 0.0 109.411 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 315' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.306 -1.313 0 CA-C-O 118.041 -0.98 . . . . 0.0 109.408 179.895 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.762 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 273' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.26 130.39 55.41 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.162 -0.961 . . . . 0.0 109.504 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 274' ' ' GLY . . . . . . . . . . . . . . . 179.47 117.13 0.53 Allowed Glycine 0 C--N 1.306 -1.128 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . 148.03 -49.05 0.61 Allowed Glycine 0 C--N 1.305 -1.17 0 N-CA-C 109.629 -1.389 . . . . 0.0 109.629 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -33.86 39.69 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.346 -1.09 . . . . 0.0 109.405 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 277' ' ' ILE . . . . . . . . . . . . . 63.2 mt -56.77 -54.48 28.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.322 -0.861 . . . . 0.0 109.665 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . -49.11 -45.61 43.66 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.318 -0.864 . . . . 0.0 109.693 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -62.81 -50.01 72.69 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.228 -0.92 . . . . 0.0 109.711 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 5.4 mt -57.47 -58.54 7.83 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.25 -0.906 . . . . 0.0 109.6 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.4 -42.93 43.83 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.275 -0.891 . . . . 0.0 109.603 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -59.06 -35.61 73.64 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.257 -0.902 . . . . 0.0 109.397 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -74.45 -48.59 26.55 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.32 -0.863 . . . . 0.0 109.471 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 284' ' ' VAL . . . . . 0.403 ' O ' HG11 ' A' ' 284' ' ' VAL . 82.0 t -55.26 -33.25 30.3 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 O-C-N 121.327 -0.858 . . . . 0.0 109.455 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -73.39 -53.29 11.08 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.249 -0.907 . . . . 0.0 109.318 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . 91.6 m -51.43 -39.72 57.92 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.208 -0.932 . . . . 0.0 109.126 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 287' ' ' LEU . . . . . 0.49 ' CB ' HD11 ' B' ' 287' ' ' LEU . 9.7 mt -60.64 -60.75 3.31 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.314 -0.866 . . . . 0.0 109.262 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 288' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 287' ' ' LEU . 0.0 OUTLIER -44.87 -29.33 0.78 Allowed 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.466 -0.771 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 289' ' ' ALA . . . . . . . . . . . . . . . -67.81 -59.52 3.24 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.17 -0.957 . . . . 0.0 109.331 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 290' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -50.96 -36.65 39.97 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.41 -0.806 . . . . 0.0 109.552 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -60.72 -53.09 61.6 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.08 -1.012 . . . . 0.0 109.204 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -29.1 68.93 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.262 -0.899 . . . . 0.0 109.235 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -72.43 -70.61 0.33 Allowed 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.235 -0.916 . . . . 0.0 109.593 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.69 -27.23 11.08 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.254 -0.904 . . . . 0.0 109.549 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -64.54 -54.84 25.86 Favored 'General case' 0 C--N 1.305 -1.326 0 O-C-N 121.135 -0.978 . . . . 0.0 109.394 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -41.04 93.92 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.292 -0.88 . . . . 0.0 109.475 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 297' ' ' THR . . . . . 0.448 ' O ' ' HB3' ' A' ' 300' ' ' MET . 23.0 m -57.23 -51.65 68.49 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.16 -0.963 . . . . 0.0 109.569 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 298' ' ' ALA . . . . . . . . . . . . . . . -57.89 -58.27 9.13 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.2 -0.938 . . . . 0.0 109.417 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -46.26 -32.65 3.2 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.244 -0.91 . . . . 0.0 109.325 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 300' ' ' MET . . . . . 0.448 ' HB3' ' O ' ' A' ' 297' ' ' THR . 1.7 ttp -66.64 -59.37 3.66 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.164 -0.96 . . . . 0.0 109.293 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.59 -16.8 51.47 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.295 -0.878 . . . . 0.0 109.448 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 302' ' ' ARG . . . . . 0.44 ' NH1' ' HG2' ' A' ' 302' ' ' ARG . 0.0 OUTLIER -74.9 -48.55 24.16 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.352 -0.842 . . . . 0.0 109.542 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 300' ' ' MET . 5.1 pt-20 -64.52 -37.15 86.53 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.208 -0.933 . . . . 0.0 109.53 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 304' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 307' ' ' GLN . 0.1 OUTLIER -64.0 -61.68 2.12 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.108 -0.995 . . . . 0.0 109.152 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 305' ' ' VAL . . . . . 0.472 HG12 ' HE3' ' A' ' 309' ' ' LYS . 39.6 t -46.51 -35.63 2.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.303 -0.873 . . . . 0.0 109.168 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 306' ' ' ALA . . . . . 0.468 ' O ' ' HG2' ' A' ' 310' ' ' GLN . . . -66.34 -34.84 78.88 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.29 -0.881 . . . . 0.0 109.226 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 307' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 304' ' ' GLN . 2.9 mt-30 -76.29 -53.3 8.42 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.255 -0.903 . . . . 0.0 109.261 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 3.9 mt -53.41 -31.42 45.01 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.391 -0.818 . . . . 0.0 109.452 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 309' ' ' LYS . . . . . 0.472 ' HE3' HG12 ' A' ' 305' ' ' VAL . 0.1 OUTLIER -83.8 -57.79 3.07 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.239 -0.913 . . . . 0.0 109.368 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 310' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 306' ' ' ALA . 28.9 mm100 -46.7 -44.76 18.99 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.121 -0.987 . . . . 0.0 109.092 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 311' ' ' LYS . . . . . 0.492 ' C ' ' CD ' ' A' ' 311' ' ' LYS . 0.1 OUTLIER -49.6 -46.4 49.14 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.367 -0.833 . . . . 0.0 109.184 179.772 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 312' ' ' VAL . . . . . . . . . . . . . 56.2 t -64.58 -39.98 87.46 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 O-C-N 121.29 -0.881 . . . . 0.0 109.26 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 313' ' ' MET . . . . . . . . . . . . . 2.9 tpt -86.1 84.2 7.56 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.311 -0.868 . . . . 0.0 109.441 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 314' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -147.59 91.32 1.95 Allowed 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.178 -0.951 . . . . 0.0 109.447 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 315' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.306 -1.303 0 CA-C-O 117.941 -1.028 . . . . 0.0 109.485 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.68 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 273' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.16 130.16 55.39 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.183 -0.948 . . . . 0.0 109.561 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 179.79 117.24 0.54 Allowed Glycine 0 C--N 1.305 -1.152 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . 148.23 -49.69 0.59 Allowed Glycine 0 C--N 1.305 -1.185 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -34.42 43.85 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.201 -1.176 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 277' ' ' ILE . . . . . . . . . . . . . 64.2 mt -56.41 -54.22 30.95 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.361 -0.837 . . . . 0.0 109.577 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 278' ' ' ALA . . . . . . . . . . . . . . . -49.22 -45.86 45.08 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.07 -1.019 . . . . 0.0 109.567 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -62.47 -50.38 71.69 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.269 -0.894 . . . . 0.0 109.716 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 280' ' ' LEU . . . . . . . . . . . . . 5.4 mt -57.12 -58.83 6.46 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.192 -0.942 . . . . 0.0 109.571 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.23 -43.22 42.4 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.223 -0.923 . . . . 0.0 109.597 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -58.91 -35.3 72.84 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.221 -0.925 . . . . 0.0 109.386 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -74.67 -48.72 24.54 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.297 -0.877 . . . . 0.0 109.574 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 284' ' ' VAL . . . . . 0.403 ' O ' HG11 ' B' ' 284' ' ' VAL . 78.7 t -55.14 -33.12 29.17 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 O-C-N 121.315 -0.865 . . . . 0.0 109.398 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -73.72 -53.47 10.27 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.2 -0.938 . . . . 0.0 109.283 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 286' ' ' THR . . . . . . . . . . . . . 91.5 m -51.14 -39.53 56.48 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.115 -0.991 . . . . 0.0 109.068 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 287' ' ' LEU . . . . . 0.49 HD11 ' CB ' ' A' ' 287' ' ' LEU . 9.5 mt -60.86 -61.01 2.9 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.431 -0.793 . . . . 0.0 109.201 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 288' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' B' ' 287' ' ' LEU . 0.0 OUTLIER -44.69 -29.36 0.75 Allowed 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.382 -0.824 . . . . 0.0 109.377 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 289' ' ' ALA . . . . . . . . . . . . . . . -67.57 -59.69 3.15 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.26 -0.9 . . . . 0.0 109.167 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 290' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -51.33 -36.96 45.22 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.416 -0.803 . . . . 0.0 109.315 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -59.61 -51.56 69.31 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.22 -0.925 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -28.74 70.23 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.271 -0.893 . . . . 0.0 109.34 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -72.23 -70.59 0.33 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.24 -0.912 . . . . 0.0 109.445 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 294' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.7 -27.14 10.83 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.265 -0.897 . . . . 0.0 109.628 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -64.56 -53.92 40.23 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.135 -0.978 . . . . 0.0 109.541 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.6 -40.44 94.8 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.18 -0.95 . . . . 0.0 109.604 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 297' ' ' THR . . . . . 0.443 ' O ' ' HB3' ' B' ' 300' ' ' MET . 21.8 m -57.86 -51.9 67.68 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.156 -0.965 . . . . 0.0 109.58 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 298' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' B' ' 299' ' ' ASN . . . -57.31 -58.32 8.78 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.343 -0.848 . . . . 0.0 109.513 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 299' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' B' ' 298' ' ' ALA . 1.1 m-20 -46.21 -33.05 3.37 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.209 -0.932 . . . . 0.0 109.353 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 300' ' ' MET . . . . . 0.443 ' HB3' ' O ' ' B' ' 297' ' ' THR . 1.8 ttp -66.33 -58.98 4.17 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.281 -0.887 . . . . 0.0 109.365 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 301' ' ' LEU . . . . . 0.405 ' HA ' ' HG3' ' B' ' 304' ' ' GLN . 74.3 mt -61.75 -17.28 55.3 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.264 -0.898 . . . . 0.0 109.441 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 302' ' ' ARG . . . . . 0.432 ' NH1' ' HG2' ' B' ' 302' ' ' ARG . 0.0 OUTLIER -74.39 -48.67 26.39 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.221 -0.924 . . . . 0.0 109.544 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 303' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' B' ' 300' ' ' MET . 5.3 pt-20 -64.31 -37.07 86.21 Favored 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.311 -0.868 . . . . 0.0 109.753 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 304' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' B' ' 307' ' ' GLN . 0.1 OUTLIER -64.16 -61.17 2.42 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.186 -0.946 . . . . 0.0 109.105 179.84 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 305' ' ' VAL . . . . . 0.457 HG12 ' HE3' ' B' ' 309' ' ' LYS . 39.0 t -47.27 -34.78 3.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.439 -0.788 . . . . 0.0 109.266 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . 0.469 ' O ' ' HG2' ' B' ' 310' ' ' GLN . . . -67.33 -34.01 76.46 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.292 -0.88 . . . . 0.0 109.293 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 307' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' B' ' 304' ' ' GLN . 2.9 mt-30 -77.02 -53.08 8.26 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.256 -0.903 . . . . 0.0 109.304 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 308' ' ' LEU . . . . . . . . . . . . . 3.9 mt -53.35 -31.38 44.22 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.399 -0.813 . . . . 0.0 109.433 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 309' ' ' LYS . . . . . 0.457 ' HE3' HG12 ' B' ' 305' ' ' VAL . 0.1 OUTLIER -83.7 -58.23 2.89 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.244 -0.91 . . . . 0.0 109.391 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 310' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' B' ' 306' ' ' ALA . 28.8 mm100 -46.42 -44.38 17.18 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.09 -1.006 . . . . 0.0 109.139 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 311' ' ' LYS . . . . . 0.49 ' CD ' ' C ' ' B' ' 311' ' ' LYS . 0.1 OUTLIER -50.09 -46.23 53.29 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.287 -0.883 . . . . 0.0 109.283 179.735 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 312' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.74 -40.05 87.75 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 O-C-N 121.281 -0.887 . . . . 0.0 109.212 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 2.9 tpt -86.11 84.03 7.6 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.344 -0.848 . . . . 0.0 109.343 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 314' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -147.49 91.03 1.92 Allowed 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.187 -0.945 . . . . 0.0 109.582 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 315' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.308 -1.211 0 CA-C-O 117.933 -1.032 . . . . 0.0 109.557 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.753 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 273' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -167.91 -40.48 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.312 -0.868 . . . . 0.0 109.369 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 274' ' ' GLY . . . . . . . . . . . . . . . -164.18 -141.36 3.11 Favored Glycine 0 C--N 1.304 -1.198 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . -96.84 -27.6 9.45 Favored Glycine 0 C--N 1.303 -1.259 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.88 -33.17 74.73 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.248 -1.148 . . . . 0.0 109.409 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 277' ' ' ILE . . . . . 0.449 ' N ' ' CD1' ' A' ' 277' ' ' ILE . 2.3 mp -71.37 -36.88 62.95 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 O-C-N 121.28 -0.887 . . . . 0.0 108.988 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . -55.56 -59.52 4.71 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.292 -0.88 . . . . 0.0 108.856 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -46.99 80.54 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.298 -0.876 . . . . 0.0 109.177 179.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . 0.41 ' O ' HG21 ' A' ' 284' ' ' VAL . 0.2 OUTLIER -50.22 -44.82 53.43 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.364 -0.835 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.43 -33.69 76.55 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.304 -0.872 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.53 -38.91 77.7 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.28 -0.887 . . . . 0.0 108.701 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -65.95 -35.99 82.11 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.468 -0.77 . . . . 0.0 108.924 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 284' ' ' VAL . . . . . 0.41 HG21 ' O ' ' A' ' 280' ' ' LEU . 58.4 t -61.34 -54.56 33.45 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.444 -0.785 . . . . 0.0 109.008 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -43.99 73.57 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.26 -0.9 . . . . 0.0 109.136 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . 39.9 m -56.01 -45.1 79.19 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.266 -0.896 . . . . 0.0 109.022 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 287' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 288' ' ' LYS . 4.4 mt -59.27 -53.92 52.78 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.378 -0.826 . . . . 0.0 109.045 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 288' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 287' ' ' LEU . 0.0 OUTLIER -47.49 -43.55 24.59 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.332 -0.855 . . . . 0.0 109.21 179.741 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 289' ' ' ALA . . . . . . . . . . . . . . . -54.04 -61.35 2.36 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.162 -0.961 . . . . 0.0 109.189 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 290' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -48.18 -36.82 14.35 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.32 -0.863 . . . . 0.0 109.377 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -60.07 -45.26 93.49 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.227 -0.921 . . . . 0.0 109.16 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.2 -29.93 70.29 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.348 -0.845 . . . . 0.0 108.919 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -70.61 -50.78 33.41 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.321 -0.862 . . . . 0.0 109.288 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . 0.475 ' HB3' ' HB3' ' B' ' 294' ' ' LEU . 0.3 OUTLIER -64.68 -39.19 93.25 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.21 -0.932 . . . . 0.0 109.376 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 295' ' ' ALA . . . . . 0.458 ' HA ' HD23 ' B' ' 294' ' ' LEU . . . -63.06 -47.06 84.58 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.352 -0.843 . . . . 0.0 109.422 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 2.2 t -63.95 -48.78 75.14 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.301 -0.874 . . . . 0.0 109.51 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 58.1 m -57.13 -52.92 63.36 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.334 -0.854 . . . . 0.0 109.603 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 298' ' ' ALA . . . . . . . . . . . . . . . -49.86 -54.05 21.9 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.19 -0.944 . . . . 0.0 109.497 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -53.73 -36.85 62.74 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.241 -0.912 . . . . 0.0 109.51 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 300' ' ' MET . . . . . . . . . . . . . 1.1 mtp -60.85 -42.35 97.65 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.291 -0.881 . . . . 0.0 109.536 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . 0.528 ' O ' ' CG2' ' A' ' 305' ' ' VAL . 38.4 mt -69.49 -23.63 63.66 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.292 -0.88 . . . . 0.0 109.632 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -51.34 9.04 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.194 -0.941 . . . . 0.0 109.804 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -60.94 -31.04 70.6 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.095 -1.003 . . . . 0.0 109.726 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 304' ' ' GLN . . . . . 0.51 ' HG3' ' N ' ' A' ' 305' ' ' VAL . 3.6 pt20 -77.95 -40.77 38.43 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.217 -0.927 . . . . 0.0 109.668 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 305' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 301' ' ' LEU . 58.8 t -59.11 -49.6 82.74 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 O-C-N 121.107 -0.996 . . . . 0.0 109.227 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 306' ' ' ALA . . . . . 0.525 ' O ' ' CG ' ' A' ' 310' ' ' GLN . . . -63.04 -39.21 94.06 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.275 -0.891 . . . . 0.0 108.936 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 307' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -66.3 -27.39 67.88 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.364 -0.835 . . . . 0.0 109.048 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 309' ' ' LYS . 1.2 mt -80.26 -58.82 2.96 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.306 -0.871 . . . . 0.0 109.229 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 309' ' ' LYS . . . . . 0.527 ' HE3' ' CG1' ' A' ' 305' ' ' VAL . 0.0 OUTLIER -47.88 -41.02 23.28 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.266 -0.896 . . . . 0.0 109.398 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 310' ' ' GLN . . . . . 0.525 ' CG ' ' O ' ' A' ' 306' ' ' ALA . 7.6 mm-40 -55.88 -55.09 36.78 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.295 -0.878 . . . . 0.0 109.496 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 311' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 311' ' ' LYS . 2.4 ttmm -52.23 -25.42 9.22 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.28 -0.887 . . . . 0.0 109.384 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 312' ' ' VAL . . . . . . . . . . . . . 93.8 t -88.2 -17.27 8.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 O-C-N 121.319 -0.863 . . . . 0.0 109.281 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 313' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.1 134.32 41.35 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.34 -0.85 . . . . 0.0 109.224 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 314' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -138.72 -84.02 0.28 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.145 -0.972 . . . . 0.0 109.675 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 315' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.307 -1.254 0 CA-C-O 117.959 -1.02 . . . . 0.0 109.45 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.781 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 273' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -167.99 -40.48 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.224 -0.922 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -164.45 -141.2 3.06 Favored Glycine 0 C--N 1.305 -1.152 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . -96.93 -27.47 9.48 Favored Glycine 0 C--N 1.306 -1.119 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.96 -32.83 74.24 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.221 -1.164 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 277' ' ' ILE . . . . . 0.423 ' CD1' ' N ' ' B' ' 277' ' ' ILE . 2.3 mp -71.66 -36.53 59.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.304 -0.873 . . . . 0.0 108.979 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 278' ' ' ALA . . . . . . . . . . . . . . . -55.6 -59.53 4.71 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.356 -0.84 . . . . 0.0 108.835 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -47.19 81.26 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.253 -0.904 . . . . 0.0 109.025 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 280' ' ' LEU . . . . . 0.412 ' O ' HG21 ' B' ' 284' ' ' VAL . 0.2 OUTLIER -49.96 -45.15 51.11 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.359 -0.838 . . . . 0.0 109.363 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.0 -33.62 76.49 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.254 -0.904 . . . . 0.0 109.231 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.63 -39.23 77.29 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.251 -0.906 . . . . 0.0 108.69 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -65.87 -35.55 80.95 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.415 -0.803 . . . . 0.0 108.909 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 284' ' ' VAL . . . . . 0.412 HG21 ' O ' ' B' ' 280' ' ' LEU . 58.3 t -61.8 -54.36 35.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.389 -0.819 . . . . 0.0 109.023 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -44.13 73.64 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.22 -0.925 . . . . 0.0 109.196 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 286' ' ' THR . . . . . . . . . . . . . 42.4 m -55.82 -44.92 78.38 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.377 -0.827 . . . . 0.0 108.988 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 287' ' ' LEU . . . . . . . . . . . . . 4.3 mt -59.42 -53.53 57.15 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.333 -0.854 . . . . 0.0 109.013 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.28 -42.54 31.08 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.385 -0.822 . . . . 0.0 109.149 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 289' ' ' ALA . . . . . . . . . . . . . . . -54.77 -61.32 2.38 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.294 -0.879 . . . . 0.0 109.183 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 290' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -48.28 -37.96 17.62 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.357 -0.839 . . . . 0.0 109.43 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.84 -46.46 87.66 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.168 -0.958 . . . . 0.0 109.09 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 1.1 m -64.9 -30.28 71.27 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.282 -0.886 . . . . 0.0 109.036 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -70.44 -50.46 38.07 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.372 -0.83 . . . . 0.0 109.248 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 294' ' ' LEU . . . . . 0.475 ' HB3' ' HB3' ' A' ' 294' ' ' LEU . 0.3 OUTLIER -64.95 -38.7 91.83 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.429 -0.794 . . . . 0.0 109.421 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 295' ' ' ALA . . . . . 0.433 ' HA ' HD23 ' A' ' 294' ' ' LEU . . . -63.84 -46.33 85.52 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.288 -0.883 . . . . 0.0 109.501 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 2.1 t -64.42 -48.07 76.75 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.322 -0.861 . . . . 0.0 109.557 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 53.6 m -57.86 -52.62 64.74 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.202 -0.936 . . . . 0.0 109.674 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -50.05 -53.95 23.52 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.24 -0.913 . . . . 0.0 109.56 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -53.84 -37.24 63.42 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.199 -0.938 . . . . 0.0 109.52 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.47 -42.46 96.3 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.261 -0.9 . . . . 0.0 109.38 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 301' ' ' LEU . . . . . 0.512 ' O ' ' CG2' ' B' ' 305' ' ' VAL . 40.4 mt -69.47 -23.71 63.69 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.26 -0.9 . . . . 0.0 109.719 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.15 -51.46 8.95 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.257 -0.902 . . . . 0.0 109.884 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -60.57 -31.2 70.34 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.115 -0.991 . . . . 0.0 109.835 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 304' ' ' GLN . . . . . 0.511 ' HG3' ' N ' ' B' ' 305' ' ' VAL . 3.6 pt20 -77.96 -41.06 37.39 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.097 -1.002 . . . . 0.0 109.588 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 305' ' ' VAL . . . . . 0.53 ' CG1' ' HE3' ' B' ' 309' ' ' LYS . 61.1 t -58.62 -49.9 80.93 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.147 -0.971 . . . . 0.0 109.218 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . 0.517 ' O ' ' CG ' ' B' ' 310' ' ' GLN . . . -63.0 -39.3 94.35 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.243 -0.91 . . . . 0.0 109.13 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 307' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -66.02 -27.06 67.83 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.35 -0.844 . . . . 0.0 109.026 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 308' ' ' LEU . . . . . . . . . . . . . 1.3 mt -80.78 -58.75 2.95 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.392 -0.818 . . . . 0.0 109.238 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 309' ' ' LYS . . . . . 0.53 ' HE3' ' CG1' ' B' ' 305' ' ' VAL . 0.0 OUTLIER -47.63 -41.28 21.75 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.35 -0.844 . . . . 0.0 109.309 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 310' ' ' GLN . . . . . 0.517 ' CG ' ' O ' ' B' ' 306' ' ' ALA . 7.6 mm-40 -55.94 -54.93 38.82 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.331 -0.856 . . . . 0.0 109.423 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 311' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' B' ' 311' ' ' LYS . 2.3 ttmm -52.3 -25.08 8.6 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.251 -0.906 . . . . 0.0 109.448 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 312' ' ' VAL . . . . . . . . . . . . . 91.5 t -88.49 -17.35 8.45 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 121.187 -0.946 . . . . 0.0 109.334 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 313' ' ' MET . . . . . 0.405 ' N ' ' O ' ' B' ' 310' ' ' GLN . 0.0 OUTLIER -75.07 134.27 41.4 Favored 'General case' 0 C--N 1.307 -1.275 0 O-C-N 121.347 -0.846 . . . . 0.0 109.15 179.867 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 314' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -138.75 -83.11 0.29 Allowed 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.161 -0.962 . . . . 0.0 109.659 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 315' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.308 -1.204 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.402 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.707 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 273' ' ' CYS . . . . . . . . . . . . . 25.8 p -87.4 155.14 20.16 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.321 -0.862 . . . . 0.0 109.536 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 274' ' ' GLY . . . . . . . . . . . . . . . 119.79 102.34 1.95 Allowed Glycine 0 C--N 1.306 -1.125 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . 101.28 -33.07 6.76 Favored Glycine 0 C--N 1.306 -1.11 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.77 -24.12 26.99 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.175 -1.191 . . . . 0.0 109.613 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 277' ' ' ILE . . . . . . . . . . . . . 2.6 mt -65.83 -30.37 49.83 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 O-C-N 121.267 -0.896 . . . . 0.0 109.361 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . -67.51 -34.24 76.72 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.161 -0.962 . . . . 0.0 109.23 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -70.92 -54.08 12.7 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.252 -0.905 . . . . 0.0 109.384 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 1.9 mt -52.37 -40.85 62.54 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.251 -0.905 . . . . 0.0 109.44 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.15 -48.06 83.33 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.287 -0.883 . . . . 0.0 109.355 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -62.5 -19.27 63.41 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.34 -0.85 . . . . 0.0 109.178 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.24 -43.97 26.85 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.279 -0.888 . . . . 0.0 109.359 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 284' ' ' VAL . . . . . . . . . . . . . 82.7 t -68.82 -26.06 31.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 121.201 -0.937 . . . . 0.0 108.877 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -74.61 -62.34 1.57 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.457 -0.777 . . . . 0.0 109.054 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . 44.0 m -50.45 -36.38 33.11 Favored 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.301 -0.874 . . . . 0.0 109.065 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 287' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' B' ' 287' ' ' LEU . 5.0 mt -61.95 -50.88 70.35 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.506 -0.746 . . . . 0.0 109.106 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -21.98 48.51 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.32 -0.863 . . . . 0.0 108.89 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 289' ' ' ALA . . . . . . . . . . . . . . . -71.02 -68.32 0.45 Allowed 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.395 -0.816 . . . . 0.0 109.556 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 290' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -59.82 -15.79 23.45 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.402 -0.811 . . . . 0.0 109.818 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 291' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 287' ' ' LEU . 0.6 OUTLIER -73.62 -53.2 11.03 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.203 -0.936 . . . . 0.0 109.462 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 1.5 t -67.0 -26.38 66.76 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.189 -0.944 . . . . 0.0 109.311 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.14 -60.91 2.22 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.311 -0.868 . . . . 0.0 109.606 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 12.9 mt -54.08 -39.42 66.31 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.218 -0.926 . . . . 0.0 109.483 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -57.82 -47.37 82.84 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.245 -0.909 . . . . 0.0 109.527 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 24.6 t -59.04 -59.3 5.69 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.289 -0.882 . . . . 0.0 109.69 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 45.4 m -51.48 -25.09 5.88 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.167 -0.958 . . . . 0.0 109.713 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 298' ' ' ALA . . . . . . . . . . . . . . . -70.3 -57.42 4.88 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.258 -0.901 . . . . 0.0 109.942 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 299' ' ' ASN . . . . . 0.497 ' OD1' ' N ' ' A' ' 300' ' ' MET . 29.9 p30 -63.17 -18.4 63.44 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.287 -0.883 . . . . 0.0 110.061 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 300' ' ' MET . . . . . 0.497 ' N ' ' OD1' ' A' ' 299' ' ' ASN . 1.1 mmt -79.28 -41.05 28.96 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.086 -1.009 . . . . 0.0 109.823 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . 0.448 ' O ' ' CG2' ' A' ' 305' ' ' VAL . 69.2 mt -73.38 -29.66 62.77 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.037 -1.039 . . . . 0.0 109.507 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.42 -48.35 28.25 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.32 -0.863 . . . . 0.0 109.441 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . 0.508 ' HG3' ' N ' ' A' ' 304' ' ' GLN . 12.3 pt-20 -59.07 -39.93 83.64 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.231 -0.918 . . . . 0.0 109.632 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 304' ' ' GLN . . . . . 0.508 ' N ' ' HG3' ' A' ' 303' ' ' GLU . 4.2 pt20 -70.91 -31.26 67.84 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.212 -0.93 . . . . 0.0 109.676 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 305' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' A' ' 301' ' ' LEU . 55.6 t -64.87 -40.76 90.16 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.29 0 O-C-N 121.065 -1.022 . . . . 0.0 109.135 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -68.12 -36.88 80.44 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.262 -0.899 . . . . 0.0 109.133 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 307' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -61.81 -37.87 86.03 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.19 -0.944 . . . . 0.0 109.101 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.71 -50.61 66.26 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.52 -0.737 . . . . 0.0 109.431 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -63.0 -18.73 63.63 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.253 -0.904 . . . . 0.0 109.409 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -65.81 -38.7 89.66 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.319 -0.863 . . . . 0.0 109.682 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 311' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -86.82 -24.04 25.13 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.098 -1.001 . . . . 0.0 109.554 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 312' ' ' VAL . . . . . . . . . . . . . 3.9 t -74.08 -18.82 17.26 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 O-C-N 121.159 -0.963 . . . . 0.0 109.53 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 313' ' ' MET . . . . . . . . . . . . . 3.4 ttp -65.41 101.84 0.62 Allowed 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.279 -0.888 . . . . 0.0 109.507 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 314' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -162.0 82.11 0.56 Allowed 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.308 -0.87 . . . . 0.0 109.341 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 315' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 . . . . . 0 C--N 1.307 -1.275 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.412 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.731 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 273' ' ' CYS . . . . . . . . . . . . . 24.7 p -87.22 155.39 20.11 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.276 -0.89 . . . . 0.0 109.473 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 119.57 102.68 1.99 Allowed Glycine 0 C--N 1.304 -1.212 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . 101.08 -33.27 6.58 Favored Glycine 0 C--N 1.305 -1.184 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.66 -23.61 27.4 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.156 -1.202 . . . . 0.0 109.667 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 277' ' ' ILE . . . . . . . . . . . . . 2.5 mt -66.36 -30.02 48.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 O-C-N 121.091 -1.005 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 278' ' ' ALA . . . . . . . . . . . . . . . -67.86 -34.09 76.01 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.267 -0.896 . . . . 0.0 109.29 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -70.7 -54.09 13.17 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.36 -0.838 . . . . 0.0 109.37 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 280' ' ' LEU . . . . . . . . . . . . . 2.0 mt -52.61 -40.93 63.22 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.267 -0.896 . . . . 0.0 109.339 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.13 -47.51 85.6 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.297 -0.877 . . . . 0.0 109.325 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -62.92 -19.27 64.07 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.354 -0.841 . . . . 0.0 109.222 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.36 -44.05 26.08 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.413 -0.805 . . . . 0.0 109.398 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 284' ' ' VAL . . . . . 0.4 HG12 HD13 ' A' ' 287' ' ' LEU . 82.3 t -68.64 -26.3 32.82 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 O-C-N 121.142 -0.974 . . . . 0.0 108.967 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -74.32 -62.38 1.54 Allowed 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.418 -0.801 . . . . 0.0 109.148 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 286' ' ' THR . . . . . . . . . . . . . 37.6 m -50.64 -35.86 32.63 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.272 -0.893 . . . . 0.0 109.016 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 287' ' ' LEU . . . . . 0.455 ' HB3' HD12 ' A' ' 287' ' ' LEU . 5.0 mt -62.36 -50.25 72.34 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.282 -0.886 . . . . 0.0 109.085 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -21.46 56.1 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.355 -0.84 . . . . 0.0 108.879 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 289' ' ' ALA . . . . . . . . . . . . . . . -71.64 -69.29 0.39 Allowed 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.469 -0.77 . . . . 0.0 109.53 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 290' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -58.74 -16.26 15.88 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.369 -0.832 . . . . 0.0 109.397 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -71.72 -56.2 6.24 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.387 -0.821 . . . . 0.0 109.487 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 1.6 t -65.96 -25.92 67.34 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.289 -0.882 . . . . 0.0 109.573 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -67.13 -60.76 2.34 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.14 -0.975 . . . . 0.0 109.598 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 294' ' ' LEU . . . . . . . . . . . . . 12.7 mt -54.07 -39.32 66.19 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.27 -0.894 . . . . 0.0 109.631 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -57.81 -47.44 82.59 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.11 -0.994 . . . . 0.0 109.588 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 28.1 t -58.81 -59.64 5.11 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.25 -0.906 . . . . 0.0 109.667 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 45.3 m -51.0 -25.59 4.92 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.258 -0.901 . . . . 0.0 109.745 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -69.98 -57.74 4.66 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.21 -0.931 . . . . 0.0 109.936 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 299' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' B' ' 300' ' ' MET . 30.2 p30 -62.59 -18.45 62.17 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.186 -0.946 . . . . 0.0 110.12 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 300' ' ' MET . . . . . 0.494 ' N ' ' OD1' ' B' ' 299' ' ' ASN . 1.2 mmt -79.59 -41.05 27.95 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.058 -1.026 . . . . 0.0 109.82 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 301' ' ' LEU . . . . . 0.445 ' O ' ' CG2' ' B' ' 305' ' ' VAL . 70.5 mt -73.13 -29.91 63.23 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.163 -0.96 . . . . 0.0 109.468 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.12 -48.8 27.12 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.223 -0.923 . . . . 0.0 109.573 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 303' ' ' GLU . . . . . 0.519 ' HG3' ' N ' ' B' ' 304' ' ' GLN . 12.4 pt-20 -58.55 -39.8 81.26 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.274 -0.891 . . . . 0.0 109.694 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 304' ' ' GLN . . . . . 0.519 ' N ' ' HG3' ' B' ' 303' ' ' GLU . 4.2 pt20 -71.08 -31.35 67.71 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.151 -0.968 . . . . 0.0 109.644 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 305' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' B' ' 301' ' ' LEU . 54.4 t -64.6 -40.97 90.89 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 O-C-N 121.101 -0.999 . . . . 0.0 109.031 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.19 80.7 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.319 -0.863 . . . . 0.0 109.185 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 307' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -61.28 -38.38 86.55 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.329 -0.857 . . . . 0.0 109.029 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 308' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.3 -50.9 66.05 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.348 -0.845 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 309' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -62.79 -18.33 62.56 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.21 -0.931 . . . . 0.0 109.425 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 310' ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -66.34 -38.45 87.67 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.186 -0.946 . . . . 0.0 109.731 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 311' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -87.08 -23.88 24.77 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.22 -0.925 . . . . 0.0 109.57 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 312' ' ' VAL . . . . . . . . . . . . . 4.0 t -73.96 -19.07 17.43 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 O-C-N 121.221 -0.924 . . . . 0.0 109.64 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 3.4 ttp -65.32 101.62 0.58 Allowed 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.236 -0.915 . . . . 0.0 109.449 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 314' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -161.76 81.77 0.58 Allowed 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.234 -0.916 . . . . 0.0 109.323 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 315' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 . . . . . 0 C--N 1.306 -1.289 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.422 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 272' ' ' ACE . . . . . 0.431 ' O ' ' N ' ' A' ' 274' ' ' GLY . . . . . . . . 0 C--O 1.215 -0.744 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 273' ' ' CYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 272' ' ' ACE . 19.1 m 59.05 -89.76 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.22 -0.925 . . . . 0.0 109.417 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 274' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 272' ' ' ACE . . . 90.01 122.57 2.37 Favored Glycine 0 C--N 1.305 -1.144 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . 137.15 -63.3 0.58 Allowed Glycine 0 C--N 1.306 -1.138 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -15.5 54.68 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.171 -1.194 . . . . 0.0 109.446 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 277' ' ' ILE . . . . . . . . . . . . . 20.7 mt -78.41 -48.49 22.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 121.273 -0.892 . . . . 0.0 109.356 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . -48.26 -40.14 23.73 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.15 -0.969 . . . . 0.0 109.427 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -51.94 9.93 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.228 -0.92 . . . . 0.0 109.542 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -47.81 -40.69 21.74 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.181 -0.949 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -71.95 -40.07 68.96 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.274 -0.891 . . . . 0.0 109.139 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.07 -38.15 64.99 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.224 -0.923 . . . . 0.0 108.96 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -58.07 4.23 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.341 -0.849 . . . . 0.0 109.025 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 284' ' ' VAL . . . . . 0.493 HG21 ' CG2' ' B' ' 284' ' ' VAL . 43.5 t -46.84 -28.5 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.401 -0.812 . . . . 0.0 109.059 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.18 -49.57 34.53 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.37 -0.831 . . . . 0.0 108.952 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -47.76 69.74 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.335 -0.853 . . . . 0.0 108.952 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 287' ' ' LEU . . . . . 0.425 HD23 ' HD2' ' B' ' 288' ' ' LYS . 4.0 mt -57.13 -46.87 82.31 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.26 -0.9 . . . . 0.0 109.39 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 288' ' ' LYS . . . . . 0.436 ' HD3' ' O ' ' A' ' 284' ' ' VAL . 0.0 OUTLIER -50.27 -52.39 36.75 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.252 -0.905 . . . . 0.0 109.042 179.811 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 289' ' ' ALA . . . . . . . . . . . . . . . -50.14 -64.72 0.72 Allowed 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.337 -0.852 . . . . 0.0 109.264 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 290' ' ' GLN . . . . . 0.427 ' HA ' ' OE1' ' A' ' 293' ' ' GLU . 2.0 mt-30 -48.59 -36.08 14.89 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.285 -0.884 . . . . 0.0 109.296 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -59.16 -66.27 0.53 Allowed 'General case' 0 C--N 1.307 -1.264 0 O-C-N 121.29 -0.881 . . . . 0.0 109.325 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 12.8 p -49.9 -43.97 49.84 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.211 -0.931 . . . . 0.0 109.408 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . 0.427 ' OE1' ' HA ' ' A' ' 290' ' ' GLN . 15.0 mt-10 -54.46 -69.81 0.12 Allowed 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.347 -0.845 . . . . 0.0 109.376 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 293' ' ' GLU . 2.9 mt -44.84 -55.11 5.68 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.345 -0.847 . . . . 0.0 109.682 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -47.92 -39.67 19.71 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.201 -0.937 . . . . 0.0 109.838 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 6.1 m -62.49 -60.16 3.93 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.199 -0.938 . . . . 0.0 109.514 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 4.7 m -47.16 -44.5 21.94 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.186 -0.946 . . . . 0.0 109.439 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 298' ' ' ALA . . . . . . . . . . . . . . . -65.27 -36.67 84.82 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.144 -0.972 . . . . 0.0 109.396 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -60.44 -54.79 41.38 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.323 -0.861 . . . . 0.0 109.375 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 300' ' ' MET . . . . . 0.515 ' O ' ' N ' ' A' ' 303' ' ' GLU . 0.2 OUTLIER -57.45 -51.78 68.03 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.2 -0.937 . . . . 0.0 109.193 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 300' ' ' MET . 16.0 mt -46.57 -37.77 8.53 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.206 -0.934 . . . . 0.0 108.89 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -75.33 -24.36 57.37 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.361 -0.837 . . . . 0.0 109.504 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 300' ' ' MET . 5.3 tp10 -72.37 -45.14 61.12 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.241 -0.912 . . . . 0.0 109.151 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 304' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 305' ' ' VAL . 0.9 OUTLIER -73.91 -28.36 61.5 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.267 -0.896 . . . . 0.0 109.212 179.793 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 305' ' ' VAL . . . . . 0.463 ' N ' ' HG3' ' A' ' 304' ' ' GLN . 51.4 t -73.74 -41.21 54.57 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 O-C-N 121.248 -0.908 . . . . 0.0 109.182 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.91 72.99 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.335 -0.853 . . . . 0.0 109.244 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 307' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 304' ' ' GLN . 0.0 OUTLIER -65.28 -29.95 70.77 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.192 -0.943 . . . . 0.0 109.067 179.762 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.451 ' N ' ' OE1' ' A' ' 307' ' ' GLN . 0.3 OUTLIER -61.65 -53.44 56.15 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.278 -0.889 . . . . 0.0 109.128 179.633 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -55.03 -53.16 59.35 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.429 -0.794 . . . . 0.0 109.182 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.92 -42.0 59.19 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.429 -0.794 . . . . 0.0 109.747 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 311' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -62.74 -47.23 84.46 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.108 -0.995 . . . . 0.0 109.752 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 312' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 314' ' ' ASN . 48.9 t -63.06 -67.29 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 O-C-N 121.12 -0.988 . . . . 0.0 109.461 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 313' ' ' MET . . . . . . . . . . . . . 6.6 ttm -68.31 71.5 0.18 Allowed 'General case' 0 C--N 1.307 -1.275 0 O-C-N 121.097 -1.002 . . . . 0.0 109.184 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 314' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 312' ' ' VAL . 12.0 t-20 -126.99 172.06 10.79 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.244 -0.91 . . . . 0.0 109.554 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 315' ' ' TYR . . . . . 0.417 ' HB2' ' O ' ' A' ' 314' ' ' ASN . 57.8 m-85 . . . . . 0 C--N 1.306 -1.3 0 CA-C-O 118.052 -0.975 . . . . 0.0 109.478 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 272' ' ' ACE . . . . . 0.434 ' O ' ' N ' ' B' ' 274' ' ' GLY . . . . . . . . 0 C--O 1.215 -0.723 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 273' ' ' CYS . . . . . 0.423 ' HB2' ' O ' ' B' ' 272' ' ' ACE . 22.2 m 59.21 -89.39 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.293 -0.879 . . . . 0.0 109.379 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 274' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' B' ' 272' ' ' ACE . . . 90.08 123.41 2.53 Favored Glycine 0 C--O 1.215 -1.063 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . 136.15 -63.69 0.58 Allowed Glycine 0 C--N 1.305 -1.181 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.05 -15.76 55.17 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.291 -1.123 . . . . 0.0 109.513 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 277' ' ' ILE . . . . . . . . . . . . . 21.2 mt -78.34 -48.47 22.68 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.211 -0.93 . . . . 0.0 109.355 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 278' ' ' ALA . . . . . . . . . . . . . . . -48.41 -39.83 23.88 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.147 -0.971 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -51.56 10.45 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.183 -0.948 . . . . 0.0 109.42 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 280' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -48.26 -40.63 25.3 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.186 -0.946 . . . . 0.0 109.374 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -71.85 -39.96 69.34 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.229 -0.92 . . . . 0.0 109.225 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.28 -38.26 65.67 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.262 -0.899 . . . . 0.0 108.929 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -58.08 4.28 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.414 -0.804 . . . . 0.0 109.047 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 284' ' ' VAL . . . . . 0.493 ' CG2' HG21 ' A' ' 284' ' ' VAL . 43.3 t -46.76 -28.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 O-C-N 121.348 -0.845 . . . . 0.0 109.12 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.07 -50.01 31.82 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.265 -0.897 . . . . 0.0 109.054 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 286' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -47.89 67.87 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.213 -0.929 . . . . 0.0 109.015 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 287' ' ' LEU . . . . . . . . . . . . . 4.0 mt -57.3 -46.8 82.8 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.388 -0.82 . . . . 0.0 109.294 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 288' ' ' LYS . . . . . 0.442 ' HD3' ' O ' ' B' ' 284' ' ' VAL . 0.0 OUTLIER -50.16 -52.32 36.32 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.248 -0.908 . . . . 0.0 109.011 179.747 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 289' ' ' ALA . . . . . . . . . . . . . . . -50.36 -65.48 0.55 Allowed 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.338 -0.851 . . . . 0.0 109.294 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 290' ' ' GLN . . . . . 0.431 ' HA ' ' OE1' ' B' ' 293' ' ' GLU . 2.0 mt-30 -48.21 -35.72 12.4 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.29 -0.881 . . . . 0.0 109.284 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -59.94 -64.79 0.82 Allowed 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.351 -0.843 . . . . 0.0 109.358 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 12.3 p -51.35 -43.68 61.87 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.125 -0.985 . . . . 0.0 109.21 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 293' ' ' GLU . . . . . 0.431 ' OE1' ' HA ' ' B' ' 290' ' ' GLN . 15.0 mt-10 -54.48 -69.49 0.13 Allowed 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.303 -0.873 . . . . 0.0 109.417 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 294' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' B' ' 293' ' ' GLU . 2.9 mt -44.93 -54.62 6.29 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.343 -0.848 . . . . 0.0 109.66 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -48.16 -39.61 21.32 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.322 -0.861 . . . . 0.0 109.835 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 5.8 m -62.72 -60.1 3.97 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.085 -1.01 . . . . 0.0 109.58 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 4.3 m -47.25 -44.16 22.66 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.184 -0.947 . . . . 0.0 109.414 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.52 83.83 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.286 -0.884 . . . . 0.0 109.239 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -60.53 -55.27 35.49 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.242 -0.911 . . . . 0.0 109.354 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 300' ' ' MET . . . . . 0.514 ' O ' ' N ' ' B' ' 303' ' ' GLU . 0.2 OUTLIER -57.04 -51.58 68.7 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.214 -0.928 . . . . 0.0 109.164 179.796 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 301' ' ' LEU . . . . . 0.41 HD11 HD11 ' A' ' 301' ' ' LEU . 15.9 mt -46.56 -37.81 8.56 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.107 -0.996 . . . . 0.0 109.044 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -75.38 -24.04 57.17 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.302 -0.874 . . . . 0.0 109.448 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 303' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' B' ' 300' ' ' MET . 5.3 tp10 -72.66 -45.03 60.96 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.307 -0.87 . . . . 0.0 109.085 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 304' ' ' GLN . . . . . 0.461 ' O ' ' HG3' ' B' ' 307' ' ' GLN . 0.9 OUTLIER -74.07 -28.17 61.26 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.326 -0.859 . . . . 0.0 109.243 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 305' ' ' VAL . . . . . 0.442 ' N ' ' HG3' ' B' ' 304' ' ' GLN . 53.6 t -73.82 -41.41 53.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.249 -0.907 . . . . 0.0 109.174 179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -62.81 -49.94 72.95 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.348 -0.845 . . . . 0.0 109.227 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 307' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' B' ' 304' ' ' GLN . 0.0 OUTLIER -65.2 -30.01 70.87 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.209 -0.932 . . . . 0.0 109.096 179.679 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 308' ' ' LEU . . . . . 0.447 ' N ' ' OE1' ' B' ' 307' ' ' GLN . 0.3 OUTLIER -61.57 -53.87 50.6 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.324 -0.86 . . . . 0.0 109.003 179.715 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 309' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -54.66 -53.13 58.83 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.331 -0.855 . . . . 0.0 109.244 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 310' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.07 -42.09 60.35 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.339 -0.851 . . . . 0.0 109.811 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 311' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -62.56 -47.42 83.96 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.169 -0.957 . . . . 0.0 109.733 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 312' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' B' ' 314' ' ' ASN . 49.7 t -62.73 -67.52 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 O-C-N 121.197 -0.939 . . . . 0.0 109.543 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 6.2 ttm -68.03 71.59 0.16 Allowed 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.113 -0.992 . . . . 0.0 109.203 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 314' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' B' ' 312' ' ' VAL . 11.6 t-20 -127.06 171.94 10.93 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.188 -0.945 . . . . 0.0 109.638 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 315' ' ' TYR . . . . . 0.43 ' HB2' ' O ' ' B' ' 314' ' ' ASN . 58.1 m-85 . . . . . 0 C--N 1.306 -1.291 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.458 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.76 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 273' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -177.78 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.253 -0.904 . . . . 0.0 109.468 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 274' ' ' GLY . . . . . . . . . . . . . . . 176.01 102.18 0.15 Allowed Glycine 0 C--N 1.305 -1.176 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . 155.25 -63.17 0.34 Allowed Glycine 0 C--N 1.304 -1.225 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -93.72 -27.46 16.5 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.209 -1.171 . . . . 0.0 109.365 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 277' ' ' ILE . . . . . 0.433 ' CD1' ' N ' ' A' ' 278' ' ' ALA . 2.1 pp -65.52 -49.59 77.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 O-C-N 121.352 -0.843 . . . . 0.0 109.958 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . 0.433 ' N ' ' CD1' ' A' ' 277' ' ' ILE . . . -62.78 -25.54 68.28 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.145 -0.972 . . . . 0.0 109.367 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 279' ' ' ARG . . . . . 0.404 ' HD3' ' HA ' ' A' ' 279' ' ' ARG . 15.0 mmt180 -70.35 -65.19 0.76 Allowed 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.191 -0.943 . . . . 0.0 109.176 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.38 -22.12 4.31 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.234 -0.916 . . . . 0.0 108.92 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . 0.431 ' HA ' ' OE1' ' A' ' 281' ' ' GLU . 4.5 mm-40 -68.16 -53.38 25.52 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.431 -0.793 . . . . 0.0 109.098 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -56.66 -33.23 66.15 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.155 -0.966 . . . . 0.0 108.813 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -65.58 -42.12 92.12 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.36 -0.838 . . . . 0.0 108.997 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 284' ' ' VAL . . . . . 0.413 HG23 HG21 ' B' ' 284' ' ' VAL . 53.3 t -61.51 -30.51 48.3 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 O-C-N 121.388 -0.82 . . . . 0.0 108.913 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -66.14 -54.71 22.14 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.255 -0.903 . . . . 0.0 109.386 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.58 -46.61 63.56 Favored 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.147 -0.971 . . . . 0.0 109.014 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 287' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.16 -46.94 65.68 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 121.218 -0.926 . . . . 0.0 108.847 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 288' ' ' LYS . . . . . 0.406 ' HD3' ' O ' ' A' ' 284' ' ' VAL . 1.5 mptp? -53.64 -42.33 67.7 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.401 -0.812 . . . . 0.0 109.066 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 289' ' ' ALA . . . . . . . . . . . . . . . -54.76 -58.07 9.0 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.282 -0.886 . . . . 0.0 109.597 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 290' ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' ' 293' ' ' GLU . 34.6 mt-30 -50.14 -35.73 27.1 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.411 -0.806 . . . . 0.0 109.84 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -60.44 -49.36 77.87 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.138 -0.976 . . . . 0.0 109.163 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.12 -30.56 70.45 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.098 -1.001 . . . . 0.0 109.008 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 293' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 290' ' ' GLN . 12.4 mt-10 -61.27 -61.25 2.69 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.299 -0.876 . . . . 0.0 109.25 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.02 -28.04 62.14 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.324 -0.86 . . . . 0.0 109.494 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -61.24 -46.81 88.84 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.28 -0.887 . . . . 0.0 109.556 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -43.16 91.91 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.289 -0.882 . . . . 0.0 109.511 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 67.7 m -54.33 -42.01 69.7 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.188 -0.945 . . . . 0.0 109.719 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 298' ' ' ALA . . . . . . . . . . . . . . . -63.02 -55.25 27.28 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.294 -0.879 . . . . 0.0 109.678 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -57.3 -19.25 20.86 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.074 -1.016 . . . . 0.0 109.523 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 300' ' ' MET . . . . . 0.506 ' O ' ' CG ' ' A' ' 303' ' ' GLU . 0.0 OUTLIER -75.25 -61.85 1.76 Allowed 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.25 -0.906 . . . . 0.0 109.256 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 301' ' ' LEU . . . . . 0.466 ' O ' ' HG2' ' A' ' 304' ' ' GLN . 4.7 mt -59.41 -19.33 46.34 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.235 -0.916 . . . . 0.0 109.198 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -79.02 -38.97 35.26 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.179 -0.951 . . . . 0.0 109.958 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 303' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 300' ' ' MET . 7.8 pt-20 -69.93 -32.39 70.64 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.18 -0.95 . . . . 0.0 109.487 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 304' ' ' GLN . . . . . 0.528 ' HG3' ' N ' ' A' ' 305' ' ' VAL . 13.4 pt20 -75.82 -39.66 56.37 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.179 -0.951 . . . . 0.0 109.52 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 305' ' ' VAL . . . . . 0.528 ' N ' ' HG3' ' A' ' 304' ' ' GLN . 53.5 t -71.1 -26.82 27.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 O-C-N 121.205 -0.935 . . . . 0.0 109.357 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -71.81 -51.37 22.86 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.183 -0.948 . . . . 0.0 108.969 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 307' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 303' ' ' GLU . 2.6 pt20 -66.69 -22.35 66.08 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.376 -0.827 . . . . 0.0 109.099 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.437 ' N ' ' HG3' ' A' ' 307' ' ' GLN . 0.3 OUTLIER -73.39 -42.22 62.39 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.344 -0.848 . . . . 0.0 109.419 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -76.4 -19.37 58.19 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.233 -0.917 . . . . 0.0 109.352 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -64.09 -26.18 68.43 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.217 -0.927 . . . . 0.0 109.338 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 311' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.63 -19.61 48.79 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.231 -0.918 . . . . 0.0 109.279 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 312' ' ' VAL . . . . . . . . . . . . . 97.3 t -88.58 -23.84 6.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 121.281 -0.887 . . . . 0.0 109.377 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 313' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -27.38 27.38 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.245 -0.909 . . . . 0.0 109.483 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 314' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -84.32 -42.72 15.49 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.316 -0.865 . . . . 0.0 109.402 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 315' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--N 1.306 -1.318 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.462 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.761 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 273' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -178.11 0.04 OUTLIER 'General case' 0 C--N 1.307 -1.274 0 O-C-N 121.16 -0.963 . . . . 0.0 109.457 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 176.17 102.32 0.16 Allowed Glycine 0 C--N 1.304 -1.214 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . 155.33 -62.32 0.35 Allowed Glycine 0 C--N 1.305 -1.148 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -94.75 -27.38 15.83 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.36 -1.083 . . . . 0.0 109.372 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 277' ' ' ILE . . . . . 0.425 ' CD1' ' N ' ' B' ' 278' ' ' ALA . 2.2 pp -65.62 -49.23 79.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 O-C-N 121.228 -0.92 . . . . 0.0 110.051 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 278' ' ' ALA . . . . . 0.425 ' N ' ' CD1' ' B' ' 277' ' ' ILE . . . -62.84 -25.84 68.47 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.071 -1.018 . . . . 0.0 109.215 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 279' ' ' ARG . . . . . 0.402 ' HD3' ' HA ' ' B' ' 279' ' ' ARG . 15.0 mmt180 -70.12 -65.51 0.71 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.227 -0.921 . . . . 0.0 109.136 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 280' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.02 -22.32 3.93 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.224 -0.922 . . . . 0.0 108.921 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 281' ' ' GLU . . . . . 0.429 ' HA ' ' OE1' ' B' ' 281' ' ' GLU . 4.4 mm-40 -68.01 -53.79 23.26 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.452 -0.78 . . . . 0.0 109.153 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -56.27 -33.13 65.19 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.194 -0.941 . . . . 0.0 108.877 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -65.69 -42.05 91.66 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.357 -0.84 . . . . 0.0 108.928 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 284' ' ' VAL . . . . . 0.413 HG21 HG23 ' A' ' 284' ' ' VAL . 54.7 t -61.42 -30.6 48.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.331 -0.855 . . . . 0.0 108.792 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -66.15 -55.45 16.31 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.472 -0.768 . . . . 0.0 109.272 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 286' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.85 -46.61 60.22 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.201 -0.937 . . . . 0.0 109.039 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 287' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.08 -46.95 65.39 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.368 -0.833 . . . . 0.0 108.76 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 288' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' B' ' 284' ' ' VAL . 1.5 mptp? -53.87 -42.35 68.5 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.347 -0.846 . . . . 0.0 109.064 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 289' ' ' ALA . . . . . . . . . . . . . . . -54.26 -58.01 9.02 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.376 -0.828 . . . . 0.0 109.558 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 290' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -51.11 -33.29 25.77 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.445 -0.784 . . . . 0.0 109.732 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -61.59 -47.59 84.78 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.23 -0.919 . . . . 0.0 109.264 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.05 -30.39 71.47 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.284 -0.885 . . . . 0.0 109.31 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -60.99 -61.66 2.42 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.283 -0.886 . . . . 0.0 109.302 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 294' ' ' LEU . . . . . . . . . . . . . 97.6 mt -56.73 -28.24 60.7 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.345 -0.847 . . . . 0.0 109.491 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -60.99 -47.12 87.95 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.334 -0.854 . . . . 0.0 109.523 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.11 -43.79 90.85 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.228 -0.92 . . . . 0.0 109.513 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 66.4 m -53.56 -42.04 67.12 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.273 -0.892 . . . . 0.0 109.668 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -63.08 -55.62 23.92 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.16 -0.962 . . . . 0.0 109.582 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -56.96 -19.04 15.89 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.254 -0.904 . . . . 0.0 109.613 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 300' ' ' MET . . . . . 0.502 ' O ' ' CG ' ' B' ' 303' ' ' GLU . 0.0 OUTLIER -75.18 -61.91 1.74 Allowed 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.158 -0.964 . . . . 0.0 109.317 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 301' ' ' LEU . . . . . 0.464 ' O ' ' HG2' ' B' ' 304' ' ' GLN . 4.5 mt -59.5 -19.15 45.95 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.201 -0.937 . . . . 0.0 109.147 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -79.05 -38.93 35.23 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.252 -0.905 . . . . 0.0 109.824 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 303' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' B' ' 300' ' ' MET . 8.0 pt-20 -70.02 -32.38 70.51 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.073 -1.017 . . . . 0.0 109.524 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 304' ' ' GLN . . . . . 0.511 ' HG3' ' N ' ' B' ' 305' ' ' VAL . 13.6 pt20 -75.89 -39.78 55.75 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.262 -0.899 . . . . 0.0 109.383 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 305' ' ' VAL . . . . . 0.511 ' N ' ' HG3' ' B' ' 304' ' ' GLN . 53.2 t -70.83 -26.89 28.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.367 -0.833 . . . . 0.0 109.349 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -71.79 -51.35 23.02 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.285 -0.884 . . . . 0.0 109.1 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 307' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' B' ' 303' ' ' GLU . 2.7 pt20 -66.7 -22.28 66.07 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.159 -0.963 . . . . 0.0 109.123 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 308' ' ' LEU . . . . . 0.435 ' N ' ' HG3' ' B' ' 307' ' ' GLN . 0.3 OUTLIER -73.5 -42.06 62.29 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.414 -0.804 . . . . 0.0 109.433 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 309' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -76.45 -19.54 57.95 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.355 -0.841 . . . . 0.0 109.317 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 310' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -64.15 -26.23 68.44 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 121.239 -0.913 . . . . 0.0 109.349 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 311' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.7 -19.24 49.39 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.238 -0.914 . . . . 0.0 109.343 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 312' ' ' VAL . . . . . . . . . . . . . 95.8 t -88.77 -24.24 6.1 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 O-C-N 121.274 -0.891 . . . . 0.0 109.338 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.86 -27.8 28.43 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.263 -0.898 . . . . 0.0 109.425 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 314' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -84.0 -43.0 15.62 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.274 -0.891 . . . . 0.0 109.404 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 315' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.306 -1.296 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.428 -179.854 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.087 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -70.19 -24.94 63.21 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.295 -1.12 . . . . 0.0 109.584 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 277' ' ' ILE . . . . . 0.634 ' H ' HD12 ' A' ' 277' ' ' ILE . 5.1 mp -71.71 -62.49 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 O-C-N 121.27 -0.894 . . . . 0.0 109.466 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 278' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' A' ' 281' ' ' GLU . . . -47.64 -41.94 23.31 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.37 -0.831 . . . . 0.0 109.565 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -58.26 9.4 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 121.138 -0.976 . . . . 0.0 109.407 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 13.4 mt -47.97 -28.47 2.76 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.138 -0.976 . . . . 0.0 109.416 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 281' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 278' ' ' ALA . 0.5 OUTLIER -70.78 -52.61 19.56 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.287 -0.883 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -52.85 -36.5 59.02 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.254 -0.904 . . . . 0.0 109.066 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.35 -46.73 75.77 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.397 -0.814 . . . . 0.0 109.214 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 284' ' ' VAL . . . . . 0.542 HG22 HG22 ' B' ' 284' ' ' VAL . 78.4 t -61.63 -19.2 20.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.299 -0.876 . . . . 0.0 109.143 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -77.72 -47.61 18.69 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.293 -0.879 . . . . 0.0 109.281 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . 3.5 m -64.66 -31.7 73.04 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.252 -0.905 . . . . 0.0 109.403 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 287' ' ' LEU . . . . . 0.522 ' CD1' HG13 ' B' ' 284' ' ' VAL . 56.1 mt -69.84 -51.73 30.97 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.321 -0.862 . . . . 0.0 109.53 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -34.19 70.24 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.217 -0.927 . . . . 0.0 109.427 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 289' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 290' ' ' GLN . . . -64.24 -68.15 0.37 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.285 -0.885 . . . . 0.0 109.601 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 290' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 289' ' ' ALA . 10.0 mt-30 -43.77 -36.84 2.44 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.504 -0.748 . . . . 0.0 109.56 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -58.08 -52.12 66.87 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.311 -0.868 . . . . 0.0 109.352 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 27.4 m -61.77 -23.75 66.39 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 121.256 -0.902 . . . . 0.0 109.373 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.21 -68.34 0.41 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.23 -0.919 . . . . 0.0 109.462 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 294' ' ' LEU . . . . . 0.718 HD22 ' HA ' ' B' ' 295' ' ' ALA . 1.8 mt -56.02 -19.3 12.13 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.204 -0.935 . . . . 0.0 109.692 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 295' ' ' ALA . . . . . 0.701 ' HA ' HD22 ' B' ' 294' ' ' LEU . . . -71.96 -49.97 32.89 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.083 -1.011 . . . . 0.0 109.315 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.48 -35.79 82.07 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.215 -0.928 . . . . 0.0 109.276 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 9.3 m -60.59 -51.31 69.95 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.378 -0.826 . . . . 0.0 109.215 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 298' ' ' ALA . . . . . 0.412 ' HA ' HD12 ' A' ' 301' ' ' LEU . . . -61.96 -28.99 69.94 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.232 -0.918 . . . . 0.0 109.293 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -68.52 -34.49 75.97 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.213 -0.929 . . . . 0.0 109.375 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -43.76 58.79 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.196 -0.94 . . . . 0.0 109.464 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 305' ' ' VAL . 2.9 mt -68.73 -20.54 64.39 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.375 -0.828 . . . . 0.0 109.541 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 20.6 mtt180 -78.68 -53.77 6.8 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.217 -0.927 . . . . 0.0 109.512 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 303' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 307' ' ' GLN . 14.5 pt-20 -60.34 -36.71 78.6 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.263 -0.898 . . . . 0.0 109.725 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 304' ' ' GLN . . . . . 0.53 ' HG3' ' N ' ' A' ' 305' ' ' VAL . 3.0 pt20 -73.6 -41.32 63.02 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.065 -1.022 . . . . 0.0 109.663 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 305' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 301' ' ' LEU . 55.8 t -69.63 -16.15 20.15 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 O-C-N 121.256 -0.902 . . . . 0.0 109.11 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -81.47 -48.86 11.31 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.356 -0.84 . . . . 0.0 109.196 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 307' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 303' ' ' GLU . 50.9 mt-30 -63.64 -36.92 85.41 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.239 -0.913 . . . . 0.0 109.01 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.305 -1.358 0 O-C-N 121.34 -0.85 . . . . 0.0 109.23 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -69.95 -24.52 63.36 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.241 -1.152 . . . . 0.0 109.632 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 277' ' ' ILE . . . . . 0.634 HD12 ' H ' ' B' ' 277' ' ' ILE . 5.1 mp -72.22 -62.65 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 O-C-N 121.142 -0.974 . . . . 0.0 109.437 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 278' ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' B' ' 281' ' ' GLU . . . -47.66 -41.84 23.23 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.269 -0.894 . . . . 0.0 109.581 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -58.13 9.96 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.246 -0.909 . . . . 0.0 109.437 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 280' ' ' LEU . . . . . . . . . . . . . 13.6 mt -48.15 -28.43 2.95 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.152 -0.967 . . . . 0.0 109.351 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 281' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' B' ' 278' ' ' ALA . 0.5 OUTLIER -70.69 -52.94 17.77 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.298 -0.877 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -52.45 -36.68 55.26 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.158 -0.964 . . . . 0.0 109.061 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.13 -46.92 75.83 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.407 -0.808 . . . . 0.0 109.264 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 284' ' ' VAL . . . . . 0.542 HG22 HG22 ' A' ' 284' ' ' VAL . 79.0 t -61.64 -18.93 19.92 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 O-C-N 121.275 -0.89 . . . . 0.0 109.238 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -77.97 -47.4 18.65 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.327 -0.858 . . . . 0.0 109.368 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 286' ' ' THR . . . . . . . . . . . . . 3.5 m -64.74 -32.22 73.8 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.299 -0.876 . . . . 0.0 109.372 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 287' ' ' LEU . . . . . 0.52 ' CD1' HG13 ' A' ' 284' ' ' VAL . 55.2 mt -69.41 -51.71 33.82 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.238 -0.913 . . . . 0.0 109.518 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -33.87 70.11 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.215 -0.928 . . . . 0.0 109.5 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 289' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' B' ' 290' ' ' GLN . . . -64.51 -68.22 0.37 Allowed 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.25 -0.906 . . . . 0.0 109.676 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 290' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' B' ' 289' ' ' ALA . 9.6 mt-30 -43.67 -34.45 1.48 Allowed 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.512 -0.742 . . . . 0.0 109.61 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -60.01 -54.35 47.12 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.356 -0.84 . . . . 0.0 109.184 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 21.9 m -59.35 -23.16 62.3 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.32 -0.862 . . . . 0.0 109.341 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -70.15 -68.62 0.41 Allowed 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.29 -0.881 . . . . 0.0 109.535 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 294' ' ' LEU . . . . . 0.701 HD22 ' HA ' ' A' ' 295' ' ' ALA . 1.9 mt -56.11 -18.93 11.19 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.307 -0.871 . . . . 0.0 109.683 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 295' ' ' ALA . . . . . 0.718 ' HA ' HD22 ' A' ' 294' ' ' LEU . . . -72.29 -49.92 31.02 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.164 -0.96 . . . . 0.0 109.376 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -36.16 83.3 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.181 -0.949 . . . . 0.0 109.205 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 9.5 m -60.21 -51.67 68.59 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.242 -0.911 . . . . 0.0 109.246 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 298' ' ' ALA . . . . . 0.429 ' HA ' HD12 ' B' ' 301' ' ' LEU . . . -61.71 -29.18 69.93 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.238 -0.914 . . . . 0.0 109.307 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -68.37 -34.56 76.28 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.313 -0.867 . . . . 0.0 109.39 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 300' ' ' MET . . . . . 0.405 ' O ' ' HG2' ' B' ' 303' ' ' GLU . 0.0 OUTLIER -73.49 -43.51 59.98 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.311 -0.868 . . . . 0.0 109.464 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 301' ' ' LEU . . . . . 0.611 ' O ' HG23 ' B' ' 305' ' ' VAL . 2.8 mt -69.24 -20.3 63.94 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.328 -0.857 . . . . 0.0 109.544 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -78.83 -53.01 7.53 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.31 -0.869 . . . . 0.0 109.488 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 303' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' B' ' 307' ' ' GLN . 14.5 pt-20 -60.98 -36.78 80.34 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.262 -0.899 . . . . 0.0 109.735 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 304' ' ' GLN . . . . . 0.506 ' HG3' ' N ' ' B' ' 305' ' ' VAL . 3.0 pt20 -73.62 -41.1 63.24 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.165 -0.96 . . . . 0.0 109.664 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 305' ' ' VAL . . . . . 0.611 HG23 ' O ' ' B' ' 301' ' ' LEU . 54.7 t -69.72 -16.29 20.24 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 121.239 -0.913 . . . . 0.0 109.167 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -81.54 -48.62 11.57 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.331 -0.855 . . . . 0.0 109.294 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 307' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' B' ' 303' ' ' GLU . 50.9 mt-30 -63.81 -37.08 86.06 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.206 -0.934 . . . . 0.0 108.934 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 308' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.304 -1.386 0 O-C-N 121.401 -0.812 . . . . 0.0 109.198 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.033 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 276' ' ' ARG . . . . . 0.413 ' NH2' ' HG2' ' A' ' 276' ' ' ARG . 0.0 OUTLIER -90.48 -22.55 21.32 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.168 -1.195 . . . . 0.0 109.354 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 277' ' ' ILE . . . . . . . . . . . . . 4.6 mt -72.49 -35.5 51.5 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 121.268 -0.895 . . . . 0.0 109.452 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . -61.31 -48.84 79.53 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.174 -0.954 . . . . 0.0 109.222 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -63.32 -47.1 83.64 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.328 -0.858 . . . . 0.0 109.412 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 5.1 mt -54.04 -45.81 71.72 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.347 -0.845 . . . . 0.0 109.721 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.36 -48.98 78.83 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.175 -0.953 . . . . 0.0 109.549 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.69 -29.63 69.44 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.227 -0.921 . . . . 0.0 109.127 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.66 -49.22 41.84 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.311 -0.868 . . . . 0.0 109.543 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 284' ' ' VAL . . . . . 0.584 HG22 HG22 ' B' ' 284' ' ' VAL . 98.5 t -60.53 -27.26 39.87 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.26 -0.9 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -52.27 22.56 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.208 -0.932 . . . . 0.0 109.289 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 286' ' ' THR . . . . . 0.535 ' O ' ' HB3' ' A' ' 289' ' ' ALA . 0.0 OUTLIER -55.24 -47.15 75.81 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.27 -0.894 . . . . 0.0 109.336 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 287' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.25 -55.72 19.43 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.285 -0.885 . . . . 0.0 109.134 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.49 -37.92 41.3 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.217 -0.927 . . . . 0.0 109.184 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 289' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 286' ' ' THR . . . -55.17 -64.08 0.95 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.32 -0.862 . . . . 0.0 109.373 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 290' ' ' GLN . . . . . 0.454 ' HA ' ' HB2' ' A' ' 293' ' ' GLU . 27.9 mt-30 -48.23 -41.99 29.02 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.366 -0.834 . . . . 0.0 109.409 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -52.22 -62.03 1.9 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.38 -0.825 . . . . 0.0 109.609 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.55 -24.92 66.97 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.22 -0.925 . . . . 0.0 109.638 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 293' ' ' GLU . . . . . 0.454 ' HB2' ' HA ' ' A' ' 290' ' ' GLN . 17.8 mt-10 -70.32 -75.92 0.11 Allowed 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.183 -0.948 . . . . 0.0 109.631 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 1.2 mt -51.42 -46.54 62.97 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.228 -0.92 . . . . 0.0 109.771 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -47.9 -59.09 3.6 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.122 -0.986 . . . . 0.0 109.609 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.64 -48.78 39.4 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.264 -0.898 . . . . 0.0 109.673 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 6.7 m -56.17 -53.62 54.96 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.196 -0.94 . . . . 0.0 109.513 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 298' ' ' ALA . . . . . 0.98 ' HB2' ' HB2' ' B' ' 298' ' ' ALA . . . -57.82 -26.09 61.52 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.228 -0.92 . . . . 0.0 109.463 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -70.8 -50.12 39.08 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.25 -0.906 . . . . 0.0 109.617 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 300' ' ' MET . . . . . 0.443 ' O ' ' HG2' ' A' ' 304' ' ' GLN . 41.2 ttm -64.74 -52.75 55.42 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.248 -0.907 . . . . 0.0 109.68 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 74.4 mt -46.89 -56.8 5.72 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.235 -0.916 . . . . 0.0 109.689 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -37.99 64.97 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.234 -0.916 . . . . 0.0 109.741 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 303' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 307' ' ' GLN . 1.7 mm-40 -61.66 -42.6 99.14 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.143 -0.973 . . . . 0.0 109.696 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 304' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 300' ' ' MET . 33.9 mm-40 -65.19 -60.64 2.78 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.132 -0.98 . . . . 0.0 109.143 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 305' ' ' VAL . . . . . 0.823 HG22 HG22 ' B' ' 305' ' ' VAL . 4.5 t -53.5 -24.84 9.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.271 -0.893 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -74.92 -45.58 41.61 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.314 -0.866 . . . . 0.0 109.511 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 307' ' ' GLN . . . . . 0.416 ' HG2' ' HA ' ' A' ' 304' ' ' GLN . 3.2 pt20 -76.86 -17.98 58.64 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.334 -0.854 . . . . 0.0 109.388 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.304 -1.411 0 O-C-N 121.338 -0.851 . . . . 0.0 109.314 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -1.008 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 276' ' ' ARG . . . . . 0.405 ' NH2' ' HG2' ' B' ' 276' ' ' ARG . 0.0 OUTLIER -90.12 -23.34 21.39 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.179 -1.189 . . . . 0.0 109.428 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 277' ' ' ILE . . . . . . . . . . . . . 4.7 mt -71.73 -35.45 55.45 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 O-C-N 121.309 -0.869 . . . . 0.0 109.445 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 278' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.01 78.66 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.169 -0.957 . . . . 0.0 109.268 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -63.19 -46.98 84.55 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.259 -0.901 . . . . 0.0 109.418 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 280' ' ' LEU . . . . . . . . . . . . . 5.1 mt -54.23 -45.51 72.32 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.231 -0.918 . . . . 0.0 109.656 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.67 -49.03 78.16 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.167 -0.958 . . . . 0.0 109.504 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -29.35 69.17 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.219 -0.926 . . . . 0.0 109.172 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.94 -49.04 40.96 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.374 -0.829 . . . . 0.0 109.513 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 284' ' ' VAL . . . . . 0.584 HG22 HG22 ' A' ' 284' ' ' VAL . 98.4 t -60.76 -27.92 41.93 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 O-C-N 121.219 -0.925 . . . . 0.0 109.267 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -52.3 25.54 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.264 -0.897 . . . . 0.0 109.295 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 286' ' ' THR . . . . . 0.537 ' O ' ' HB3' ' B' ' 289' ' ' ALA . 0.0 OUTLIER -55.01 -47.78 74.24 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.16 -0.963 . . . . 0.0 109.323 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 287' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.69 -55.72 17.88 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.203 -0.935 . . . . 0.0 109.139 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.66 -37.32 40.16 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.343 -0.848 . . . . 0.0 109.254 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 289' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' B' ' 286' ' ' THR . . . -55.88 -63.55 1.14 Allowed 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.382 -0.824 . . . . 0.0 109.486 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 290' ' ' GLN . . . . . 0.454 ' HA ' ' HB2' ' B' ' 293' ' ' GLU . 27.5 mt-30 -48.02 -44.12 30.67 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.323 -0.861 . . . . 0.0 109.563 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -51.02 -64.35 0.84 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.224 -0.922 . . . . 0.0 109.633 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.16 -25.78 61.91 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.248 -0.907 . . . . 0.0 109.512 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 293' ' ' GLU . . . . . 0.454 ' HB2' ' HA ' ' B' ' 290' ' ' GLN . 17.8 mt-10 -70.16 -75.43 0.12 Allowed 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.249 -0.907 . . . . 0.0 109.571 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 294' ' ' LEU . . . . . . . . . . . . . 1.2 mt -52.36 -45.91 65.92 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.345 -0.847 . . . . 0.0 109.771 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -48.12 -58.93 3.82 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.131 -0.981 . . . . 0.0 109.537 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.78 -48.86 40.76 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.23 -0.919 . . . . 0.0 109.611 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 6.5 m -55.97 -53.79 52.64 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.214 -0.929 . . . . 0.0 109.457 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 298' ' ' ALA . . . . . 0.98 ' HB2' ' HB2' ' A' ' 298' ' ' ALA . . . -57.56 -26.25 61.15 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.165 -0.959 . . . . 0.0 109.494 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -71.0 -50.17 37.18 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.331 -0.856 . . . . 0.0 109.595 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 300' ' ' MET . . . . . 0.448 ' O ' ' HG2' ' B' ' 304' ' ' GLN . 40.9 ttm -64.65 -52.5 56.98 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.203 -0.936 . . . . 0.0 109.674 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 70.9 mt -47.31 -56.75 6.22 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.349 -0.844 . . . . 0.0 109.708 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -37.93 64.63 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.212 -0.93 . . . . 0.0 109.687 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 303' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' B' ' 307' ' ' GLN . 1.7 mm-40 -61.79 -42.73 99.38 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.212 -0.93 . . . . 0.0 109.717 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 304' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' B' ' 300' ' ' MET . 33.4 mm-40 -65.2 -60.54 2.89 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.112 -0.992 . . . . 0.0 109.184 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 305' ' ' VAL . . . . . 0.823 HG22 HG22 ' A' ' 305' ' ' VAL . 4.5 t -53.28 -25.44 10.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 O-C-N 121.285 -0.884 . . . . 0.0 109.388 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -74.38 -46.02 43.07 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.239 -0.913 . . . . 0.0 109.572 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 307' ' ' GLN . . . . . 0.425 ' HG2' ' HA ' ' B' ' 304' ' ' GLN . 3.2 pt20 -76.2 -17.94 59.3 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.251 -0.906 . . . . 0.0 109.392 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 308' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.305 -1.357 0 O-C-N 121.221 -0.924 . . . . 0.0 109.257 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -1.099 0 N-CA-C 109.629 -1.389 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -33.86 39.69 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.346 -1.09 . . . . 0.0 109.405 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 277' ' ' ILE . . . . . . . . . . . . . 63.2 mt -56.77 -54.48 28.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.322 -0.861 . . . . 0.0 109.665 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . -49.11 -45.61 43.66 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.318 -0.864 . . . . 0.0 109.693 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -62.81 -50.01 72.69 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.228 -0.92 . . . . 0.0 109.711 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 280' ' ' LEU . . . . . 0.664 HD13 HD13 ' B' ' 280' ' ' LEU . 5.4 mt -57.47 -58.54 7.83 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.25 -0.906 . . . . 0.0 109.6 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.4 -42.93 43.83 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.275 -0.891 . . . . 0.0 109.603 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -59.06 -35.61 73.64 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.257 -0.902 . . . . 0.0 109.397 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -74.45 -48.59 26.55 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.32 -0.863 . . . . 0.0 109.471 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 284' ' ' VAL . . . . . . . . . . . . . 82.0 t -55.26 -33.25 30.3 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 O-C-N 121.327 -0.858 . . . . 0.0 109.455 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -73.39 -53.29 11.08 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.249 -0.907 . . . . 0.0 109.318 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 286' ' ' THR . . . . . 0.521 ' O ' ' HB3' ' A' ' 289' ' ' ALA . 91.6 m -51.43 -39.72 57.92 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.208 -0.932 . . . . 0.0 109.126 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 287' ' ' LEU . . . . . 0.51 ' CB ' HD13 ' B' ' 287' ' ' LEU . 9.7 mt -60.64 -60.75 3.31 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.314 -0.866 . . . . 0.0 109.262 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 288' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 287' ' ' LEU . 0.0 OUTLIER -44.87 -29.33 0.78 Allowed 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.466 -0.771 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 289' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 286' ' ' THR . . . -67.81 -59.52 3.24 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.17 -0.957 . . . . 0.0 109.331 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 290' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -50.96 -36.65 39.97 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.41 -0.806 . . . . 0.0 109.552 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -60.72 -53.09 61.6 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.08 -1.012 . . . . 0.0 109.204 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -29.1 68.93 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.262 -0.899 . . . . 0.0 109.235 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -72.43 -70.61 0.33 Allowed 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.235 -0.916 . . . . 0.0 109.593 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 294' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' B' ' 295' ' ' ALA . 0.3 OUTLIER -51.69 -27.23 11.08 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.254 -0.904 . . . . 0.0 109.549 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 295' ' ' ALA . . . . . 0.474 ' HA ' HD22 ' B' ' 294' ' ' LEU . . . -64.54 -54.84 25.86 Favored 'General case' 0 C--N 1.305 -1.326 0 O-C-N 121.135 -0.978 . . . . 0.0 109.394 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -41.04 93.92 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.292 -0.88 . . . . 0.0 109.475 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 297' ' ' THR . . . . . 0.461 ' O ' ' HB3' ' A' ' 300' ' ' MET . 23.0 m -57.23 -51.65 68.49 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.16 -0.963 . . . . 0.0 109.569 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 298' ' ' ALA . . . . . . . . . . . . . . . -57.89 -58.27 9.13 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.2 -0.938 . . . . 0.0 109.417 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -46.26 -32.65 3.2 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.244 -0.91 . . . . 0.0 109.325 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 300' ' ' MET . . . . . 0.461 ' HB3' ' O ' ' A' ' 297' ' ' THR . 1.7 ttp -66.64 -59.37 3.66 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.164 -0.96 . . . . 0.0 109.293 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.59 -16.8 51.47 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.295 -0.878 . . . . 0.0 109.448 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 302' ' ' ARG . . . . . 0.442 ' NH1' ' HG2' ' A' ' 302' ' ' ARG . 0.0 OUTLIER -74.9 -48.55 24.16 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.352 -0.842 . . . . 0.0 109.542 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 303' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 300' ' ' MET . 5.1 pt-20 -64.52 -37.15 86.53 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.208 -0.933 . . . . 0.0 109.53 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 304' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 307' ' ' GLN . 0.1 OUTLIER -64.0 -61.68 2.12 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.108 -0.995 . . . . 0.0 109.152 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 305' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 304' ' ' GLN . 39.6 t -46.51 -35.63 2.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.303 -0.873 . . . . 0.0 109.168 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -66.34 -34.84 78.88 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.29 -0.881 . . . . 0.0 109.226 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 307' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 304' ' ' GLN . 2.9 mt-30 -76.29 -53.3 8.42 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.255 -0.903 . . . . 0.0 109.261 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.668 ' HB3' HD22 ' B' ' 308' ' ' LEU . 3.9 mt . . . . . 0 C--N 1.304 -1.399 0 O-C-N 121.391 -0.818 . . . . 0.0 109.452 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.044 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -34.42 43.85 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.201 -1.176 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 277' ' ' ILE . . . . . 0.401 HD13 HG21 ' B' ' 277' ' ' ILE . 64.2 mt -56.41 -54.22 30.95 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.361 -0.837 . . . . 0.0 109.577 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 278' ' ' ALA . . . . . . . . . . . . . . . -49.22 -45.86 45.08 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.07 -1.019 . . . . 0.0 109.567 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -62.47 -50.38 71.69 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.269 -0.894 . . . . 0.0 109.716 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 280' ' ' LEU . . . . . 0.664 HD13 HD13 ' A' ' 280' ' ' LEU . 5.4 mt -57.12 -58.83 6.46 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.192 -0.942 . . . . 0.0 109.571 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.23 -43.22 42.4 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.223 -0.923 . . . . 0.0 109.597 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -58.91 -35.3 72.84 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.221 -0.925 . . . . 0.0 109.386 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -74.67 -48.72 24.54 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.297 -0.877 . . . . 0.0 109.574 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 284' ' ' VAL . . . . . . . . . . . . . 78.7 t -55.14 -33.12 29.17 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 O-C-N 121.315 -0.865 . . . . 0.0 109.398 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -73.72 -53.47 10.27 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.2 -0.938 . . . . 0.0 109.283 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 286' ' ' THR . . . . . 0.516 ' O ' ' HB3' ' B' ' 289' ' ' ALA . 91.5 m -51.14 -39.53 56.48 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.115 -0.991 . . . . 0.0 109.068 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 287' ' ' LEU . . . . . 0.51 HD13 ' CB ' ' A' ' 287' ' ' LEU . 9.5 mt -60.86 -61.01 2.9 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.431 -0.793 . . . . 0.0 109.201 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 288' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' B' ' 287' ' ' LEU . 0.0 OUTLIER -44.69 -29.36 0.75 Allowed 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.382 -0.824 . . . . 0.0 109.377 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 289' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' B' ' 286' ' ' THR . . . -67.57 -59.69 3.15 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.26 -0.9 . . . . 0.0 109.167 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 290' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -51.33 -36.96 45.22 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.416 -0.803 . . . . 0.0 109.315 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 291' ' ' ASN . . . . . 0.406 ' O ' ' HB2' ' B' ' 295' ' ' ALA . 3.7 m-20 -59.61 -51.56 69.31 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.22 -0.925 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -28.74 70.23 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.271 -0.893 . . . . 0.0 109.34 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -72.23 -70.59 0.33 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.24 -0.912 . . . . 0.0 109.445 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 294' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' A' ' 295' ' ' ALA . 0.3 OUTLIER -51.7 -27.14 10.83 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.265 -0.897 . . . . 0.0 109.628 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 295' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' B' ' 291' ' ' ASN . . . -64.56 -53.92 40.23 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.135 -0.978 . . . . 0.0 109.541 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.6 -40.44 94.8 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.18 -0.95 . . . . 0.0 109.604 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 297' ' ' THR . . . . . 0.456 ' O ' ' HB3' ' B' ' 300' ' ' MET . 21.8 m -57.86 -51.9 67.68 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.156 -0.965 . . . . 0.0 109.58 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 298' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' B' ' 299' ' ' ASN . . . -57.31 -58.32 8.78 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.343 -0.848 . . . . 0.0 109.513 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 299' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' B' ' 298' ' ' ALA . 1.1 m-20 -46.21 -33.05 3.37 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.209 -0.932 . . . . 0.0 109.353 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 300' ' ' MET . . . . . 0.456 ' HB3' ' O ' ' B' ' 297' ' ' THR . 1.8 ttp -66.33 -58.98 4.17 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.281 -0.887 . . . . 0.0 109.365 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 301' ' ' LEU . . . . . 0.416 ' HA ' ' HG3' ' B' ' 304' ' ' GLN . 74.3 mt -61.75 -17.28 55.3 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.264 -0.898 . . . . 0.0 109.441 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 302' ' ' ARG . . . . . 0.436 ' NH1' ' HG2' ' B' ' 302' ' ' ARG . 0.0 OUTLIER -74.39 -48.67 26.39 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.221 -0.924 . . . . 0.0 109.544 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 303' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' B' ' 300' ' ' MET . 5.3 pt-20 -64.31 -37.07 86.21 Favored 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.311 -0.868 . . . . 0.0 109.753 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 304' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' B' ' 307' ' ' GLN . 0.1 OUTLIER -64.16 -61.17 2.42 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.186 -0.946 . . . . 0.0 109.105 179.84 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 305' ' ' VAL . . . . . . . . . . . . . 39.0 t -47.27 -34.78 3.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.439 -0.788 . . . . 0.0 109.266 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -67.33 -34.01 76.46 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.292 -0.88 . . . . 0.0 109.293 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 307' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' B' ' 304' ' ' GLN . 2.9 mt-30 -77.02 -53.08 8.26 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.256 -0.903 . . . . 0.0 109.304 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 308' ' ' LEU . . . . . 0.668 HD22 ' HB3' ' A' ' 308' ' ' LEU . 3.9 mt . . . . . 0 C--N 1.304 -1.391 0 O-C-N 121.399 -0.813 . . . . 0.0 109.433 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -1.158 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 276' ' ' ARG . . . . . 0.445 ' O ' HD12 ' A' ' 280' ' ' LEU . 0.6 OUTLIER -62.88 -33.17 74.73 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.248 -1.148 . . . . 0.0 109.409 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 277' ' ' ILE . . . . . 0.663 ' N ' HD12 ' A' ' 277' ' ' ILE . 2.3 mp -71.37 -36.88 62.95 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 O-C-N 121.28 -0.887 . . . . 0.0 108.988 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . -55.56 -59.52 4.71 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.292 -0.88 . . . . 0.0 108.856 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -46.99 80.54 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.298 -0.876 . . . . 0.0 109.177 179.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 280' ' ' LEU . . . . . 0.74 ' O ' HG23 ' A' ' 284' ' ' VAL . 0.2 OUTLIER -50.22 -44.82 53.43 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.364 -0.835 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.43 -33.69 76.55 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.304 -0.872 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.53 -38.91 77.7 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.28 -0.887 . . . . 0.0 108.701 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -65.95 -35.99 82.11 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.468 -0.77 . . . . 0.0 108.924 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 284' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 280' ' ' LEU . 58.4 t -61.34 -54.56 33.45 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.444 -0.785 . . . . 0.0 109.008 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -43.99 73.57 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.26 -0.9 . . . . 0.0 109.136 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . 39.9 m -56.01 -45.1 79.19 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.266 -0.896 . . . . 0.0 109.022 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 287' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 288' ' ' LYS . 4.4 mt -59.27 -53.92 52.78 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.378 -0.826 . . . . 0.0 109.045 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 288' ' ' LYS . . . . . 0.415 ' HE2' HG12 ' A' ' 284' ' ' VAL . 0.0 OUTLIER -47.49 -43.55 24.59 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.332 -0.855 . . . . 0.0 109.21 179.741 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 289' ' ' ALA . . . . . . . . . . . . . . . -54.04 -61.35 2.36 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.162 -0.961 . . . . 0.0 109.189 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 290' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -48.18 -36.82 14.35 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.32 -0.863 . . . . 0.0 109.377 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -60.07 -45.26 93.49 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.227 -0.921 . . . . 0.0 109.16 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.2 -29.93 70.29 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.348 -0.845 . . . . 0.0 108.919 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -70.61 -50.78 33.41 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.321 -0.862 . . . . 0.0 109.288 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 294' ' ' LEU . . . . . 0.499 ' HB3' ' HB3' ' B' ' 294' ' ' LEU . 0.3 OUTLIER -64.68 -39.19 93.25 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.21 -0.932 . . . . 0.0 109.376 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -63.06 -47.06 84.58 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.352 -0.843 . . . . 0.0 109.422 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 2.2 t -63.95 -48.78 75.14 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.301 -0.874 . . . . 0.0 109.51 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 58.1 m -57.13 -52.92 63.36 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.334 -0.854 . . . . 0.0 109.603 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 298' ' ' ALA . . . . . . . . . . . . . . . -49.86 -54.05 21.9 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.19 -0.944 . . . . 0.0 109.497 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -53.73 -36.85 62.74 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.241 -0.912 . . . . 0.0 109.51 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 300' ' ' MET . . . . . . . . . . . . . 1.1 mtp -60.85 -42.35 97.65 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.291 -0.881 . . . . 0.0 109.536 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.904 ' O ' HG23 ' A' ' 305' ' ' VAL . 38.4 mt -69.49 -23.63 63.66 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.292 -0.88 . . . . 0.0 109.632 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -51.34 9.04 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.194 -0.941 . . . . 0.0 109.804 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -60.94 -31.04 70.6 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.095 -1.003 . . . . 0.0 109.726 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 304' ' ' GLN . . . . . 0.527 ' HG3' ' N ' ' A' ' 305' ' ' VAL . 3.6 pt20 -77.95 -40.77 38.43 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.217 -0.927 . . . . 0.0 109.668 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 305' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 301' ' ' LEU . 58.8 t -59.11 -49.6 82.74 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 O-C-N 121.107 -0.996 . . . . 0.0 109.227 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.21 94.06 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.275 -0.891 . . . . 0.0 108.936 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 307' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -66.3 -27.39 67.88 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.364 -0.835 . . . . 0.0 109.048 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--N 1.306 -1.304 0 O-C-N 121.306 -0.871 . . . . 0.0 109.229 179.91 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.037 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 276' ' ' ARG . . . . . 0.451 ' O ' HD12 ' B' ' 280' ' ' LEU . 0.6 OUTLIER -62.96 -32.83 74.24 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.221 -1.164 . . . . 0.0 109.348 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 277' ' ' ILE . . . . . 0.66 ' N ' HD12 ' B' ' 277' ' ' ILE . 2.3 mp -71.66 -36.53 59.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.304 -0.873 . . . . 0.0 108.979 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 278' ' ' ALA . . . . . . . . . . . . . . . -55.6 -59.53 4.71 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.356 -0.84 . . . . 0.0 108.835 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -47.19 81.26 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.253 -0.904 . . . . 0.0 109.025 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 280' ' ' LEU . . . . . 0.719 ' O ' HG23 ' B' ' 284' ' ' VAL . 0.2 OUTLIER -49.96 -45.15 51.11 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.359 -0.838 . . . . 0.0 109.363 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.0 -33.62 76.49 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.254 -0.904 . . . . 0.0 109.231 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.63 -39.23 77.29 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.251 -0.906 . . . . 0.0 108.69 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -65.87 -35.55 80.95 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.415 -0.803 . . . . 0.0 108.909 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 284' ' ' VAL . . . . . 0.719 HG23 ' O ' ' B' ' 280' ' ' LEU . 58.3 t -61.8 -54.36 35.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.389 -0.819 . . . . 0.0 109.023 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -44.13 73.64 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.22 -0.925 . . . . 0.0 109.196 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 286' ' ' THR . . . . . . . . . . . . . 42.4 m -55.82 -44.92 78.38 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.377 -0.827 . . . . 0.0 108.988 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 287' ' ' LEU . . . . . . . . . . . . . 4.3 mt -59.42 -53.53 57.15 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.333 -0.854 . . . . 0.0 109.013 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 288' ' ' LYS . . . . . 0.411 ' HE2' HG12 ' B' ' 284' ' ' VAL . 0.0 OUTLIER -48.28 -42.54 31.08 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.385 -0.822 . . . . 0.0 109.149 179.785 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 289' ' ' ALA . . . . . . . . . . . . . . . -54.77 -61.32 2.38 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.294 -0.879 . . . . 0.0 109.183 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 290' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -48.28 -37.96 17.62 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.357 -0.839 . . . . 0.0 109.43 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.84 -46.46 87.66 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.168 -0.958 . . . . 0.0 109.09 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 1.1 m -64.9 -30.28 71.27 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.282 -0.886 . . . . 0.0 109.036 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -70.44 -50.46 38.07 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.372 -0.83 . . . . 0.0 109.248 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 294' ' ' LEU . . . . . 0.499 ' HB3' ' HB3' ' A' ' 294' ' ' LEU . 0.3 OUTLIER -64.95 -38.7 91.83 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.429 -0.794 . . . . 0.0 109.421 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -63.84 -46.33 85.52 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.288 -0.883 . . . . 0.0 109.501 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 2.1 t -64.42 -48.07 76.75 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.322 -0.861 . . . . 0.0 109.557 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 53.6 m -57.86 -52.62 64.74 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.202 -0.936 . . . . 0.0 109.674 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -50.05 -53.95 23.52 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.24 -0.913 . . . . 0.0 109.56 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -53.84 -37.24 63.42 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.199 -0.938 . . . . 0.0 109.52 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.47 -42.46 96.3 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.261 -0.9 . . . . 0.0 109.38 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 301' ' ' LEU . . . . . 0.886 ' O ' HG23 ' B' ' 305' ' ' VAL . 40.4 mt -69.47 -23.71 63.69 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.26 -0.9 . . . . 0.0 109.719 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.15 -51.46 8.95 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.257 -0.902 . . . . 0.0 109.884 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -60.57 -31.2 70.34 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.115 -0.991 . . . . 0.0 109.835 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 304' ' ' GLN . . . . . 0.53 ' HG3' ' N ' ' B' ' 305' ' ' VAL . 3.6 pt20 -77.96 -41.06 37.39 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.097 -1.002 . . . . 0.0 109.588 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 305' ' ' VAL . . . . . 0.886 HG23 ' O ' ' B' ' 301' ' ' LEU . 61.1 t -58.62 -49.9 80.93 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.147 -0.971 . . . . 0.0 109.218 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -63.0 -39.3 94.35 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.243 -0.91 . . . . 0.0 109.13 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 307' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -66.02 -27.06 67.83 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.35 -0.844 . . . . 0.0 109.026 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 308' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.305 -1.339 0 O-C-N 121.392 -0.818 . . . . 0.0 109.238 179.901 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.065 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.77 -24.12 26.99 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.175 -1.191 . . . . 0.0 109.613 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 277' ' ' ILE . . . . . . . . . . . . . 2.6 mt -65.83 -30.37 49.83 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 O-C-N 121.267 -0.896 . . . . 0.0 109.361 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . -67.51 -34.24 76.72 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.161 -0.962 . . . . 0.0 109.23 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -70.92 -54.08 12.7 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.252 -0.905 . . . . 0.0 109.384 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 1.9 mt -52.37 -40.85 62.54 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.251 -0.905 . . . . 0.0 109.44 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.15 -48.06 83.33 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.287 -0.883 . . . . 0.0 109.355 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -62.5 -19.27 63.41 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.34 -0.85 . . . . 0.0 109.178 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.24 -43.97 26.85 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.279 -0.888 . . . . 0.0 109.359 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 284' ' ' VAL . . . . . . . . . . . . . 82.7 t -68.82 -26.06 31.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 121.201 -0.937 . . . . 0.0 108.877 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -74.61 -62.34 1.57 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.457 -0.777 . . . . 0.0 109.054 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 286' ' ' THR . . . . . 0.529 ' O ' ' HB3' ' A' ' 289' ' ' ALA . 44.0 m -50.45 -36.38 33.11 Favored 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.301 -0.874 . . . . 0.0 109.065 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 287' ' ' LEU . . . . . 0.719 HD13 ' HB3' ' B' ' 287' ' ' LEU . 5.0 mt -61.95 -50.88 70.35 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.506 -0.746 . . . . 0.0 109.106 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -21.98 48.51 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.32 -0.863 . . . . 0.0 108.89 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 289' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 286' ' ' THR . . . -71.02 -68.32 0.45 Allowed 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.395 -0.816 . . . . 0.0 109.556 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 290' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -59.82 -15.79 23.45 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.402 -0.811 . . . . 0.0 109.818 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 291' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 287' ' ' LEU . 0.6 OUTLIER -73.62 -53.2 11.03 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.203 -0.936 . . . . 0.0 109.462 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 1.5 t -67.0 -26.38 66.76 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.189 -0.944 . . . . 0.0 109.311 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.14 -60.91 2.22 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.311 -0.868 . . . . 0.0 109.606 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 294' ' ' LEU . . . . . 0.504 HD22 ' HA ' ' B' ' 295' ' ' ALA . 12.9 mt -54.08 -39.42 66.31 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.218 -0.926 . . . . 0.0 109.483 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 295' ' ' ALA . . . . . 0.478 ' HA ' HD22 ' B' ' 294' ' ' LEU . . . -57.82 -47.37 82.84 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.245 -0.909 . . . . 0.0 109.527 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 24.6 t -59.04 -59.3 5.69 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.289 -0.882 . . . . 0.0 109.69 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 45.4 m -51.48 -25.09 5.88 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.167 -0.958 . . . . 0.0 109.713 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 298' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 295' ' ' ALA . . . -70.3 -57.42 4.88 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.258 -0.901 . . . . 0.0 109.942 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 299' ' ' ASN . . . . . 0.497 ' OD1' ' N ' ' A' ' 300' ' ' MET . 29.9 p30 -63.17 -18.4 63.44 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.287 -0.883 . . . . 0.0 110.061 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 300' ' ' MET . . . . . 0.503 ' O ' ' HG2' ' A' ' 303' ' ' GLU . 1.1 mmt -79.28 -41.05 28.96 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.086 -1.009 . . . . 0.0 109.823 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.904 ' O ' HG23 ' A' ' 305' ' ' VAL . 69.2 mt -73.38 -29.66 62.77 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.037 -1.039 . . . . 0.0 109.507 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 302' ' ' ARG . . . . . 0.403 ' HB3' ' NH1' ' A' ' 302' ' ' ARG . 0.1 OUTLIER -74.42 -48.35 28.25 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.32 -0.863 . . . . 0.0 109.441 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 303' ' ' GLU . . . . . 0.526 ' HG3' ' N ' ' A' ' 304' ' ' GLN . 12.3 pt-20 -59.07 -39.93 83.64 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.231 -0.918 . . . . 0.0 109.632 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 304' ' ' GLN . . . . . 0.526 ' N ' ' HG3' ' A' ' 303' ' ' GLU . 4.2 pt20 -70.91 -31.26 67.84 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.212 -0.93 . . . . 0.0 109.676 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 305' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 301' ' ' LEU . 55.6 t -64.87 -40.76 90.16 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.29 0 O-C-N 121.065 -1.022 . . . . 0.0 109.135 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -68.12 -36.88 80.44 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.262 -0.899 . . . . 0.0 109.133 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 307' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -61.81 -37.87 86.03 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.19 -0.944 . . . . 0.0 109.101 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.303 -1.431 0 O-C-N 121.52 -0.737 . . . . 0.0 109.431 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.033 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.66 -23.61 27.4 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.156 -1.202 . . . . 0.0 109.667 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 277' ' ' ILE . . . . . . . . . . . . . 2.5 mt -66.36 -30.02 48.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 O-C-N 121.091 -1.005 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 278' ' ' ALA . . . . . . . . . . . . . . . -67.86 -34.09 76.01 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.267 -0.896 . . . . 0.0 109.29 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -70.7 -54.09 13.17 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.36 -0.838 . . . . 0.0 109.37 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 280' ' ' LEU . . . . . . . . . . . . . 2.0 mt -52.61 -40.93 63.22 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.267 -0.896 . . . . 0.0 109.339 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.13 -47.51 85.6 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.297 -0.877 . . . . 0.0 109.325 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -62.92 -19.27 64.07 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.354 -0.841 . . . . 0.0 109.222 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.36 -44.05 26.08 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.413 -0.805 . . . . 0.0 109.398 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 284' ' ' VAL . . . . . . . . . . . . . 82.3 t -68.64 -26.3 32.82 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 O-C-N 121.142 -0.974 . . . . 0.0 108.967 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -74.32 -62.38 1.54 Allowed 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.418 -0.801 . . . . 0.0 109.148 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 286' ' ' THR . . . . . 0.525 ' O ' ' HB3' ' B' ' 289' ' ' ALA . 37.6 m -50.64 -35.86 32.63 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.272 -0.893 . . . . 0.0 109.016 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 287' ' ' LEU . . . . . 0.719 ' HB3' HD13 ' A' ' 287' ' ' LEU . 5.0 mt -62.36 -50.25 72.34 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.282 -0.886 . . . . 0.0 109.085 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -21.46 56.1 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.355 -0.84 . . . . 0.0 108.879 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 289' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' B' ' 286' ' ' THR . . . -71.64 -69.29 0.39 Allowed 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.469 -0.77 . . . . 0.0 109.53 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 290' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -58.74 -16.26 15.88 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.369 -0.832 . . . . 0.0 109.397 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -71.72 -56.2 6.24 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.387 -0.821 . . . . 0.0 109.487 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 1.6 t -65.96 -25.92 67.34 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.289 -0.882 . . . . 0.0 109.573 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -67.13 -60.76 2.34 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.14 -0.975 . . . . 0.0 109.598 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 294' ' ' LEU . . . . . 0.478 HD22 ' HA ' ' A' ' 295' ' ' ALA . 12.7 mt -54.07 -39.32 66.19 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.27 -0.894 . . . . 0.0 109.631 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 295' ' ' ALA . . . . . 0.504 ' HA ' HD22 ' A' ' 294' ' ' LEU . . . -57.81 -47.44 82.59 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.11 -0.994 . . . . 0.0 109.588 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 28.1 t -58.81 -59.64 5.11 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.25 -0.906 . . . . 0.0 109.667 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 45.3 m -51.0 -25.59 4.92 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.258 -0.901 . . . . 0.0 109.745 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 298' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' B' ' 295' ' ' ALA . . . -69.98 -57.74 4.66 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.21 -0.931 . . . . 0.0 109.936 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 299' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' B' ' 300' ' ' MET . 30.2 p30 -62.59 -18.45 62.17 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.186 -0.946 . . . . 0.0 110.12 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 300' ' ' MET . . . . . 0.503 ' O ' ' HG2' ' B' ' 303' ' ' GLU . 1.2 mmt -79.59 -41.05 27.95 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.058 -1.026 . . . . 0.0 109.82 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 301' ' ' LEU . . . . . 0.897 ' O ' HG23 ' B' ' 305' ' ' VAL . 70.5 mt -73.13 -29.91 63.23 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.163 -0.96 . . . . 0.0 109.468 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.12 -48.8 27.12 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.223 -0.923 . . . . 0.0 109.573 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 303' ' ' GLU . . . . . 0.539 ' HG3' ' N ' ' B' ' 304' ' ' GLN . 12.4 pt-20 -58.55 -39.8 81.26 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.274 -0.891 . . . . 0.0 109.694 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 304' ' ' GLN . . . . . 0.539 ' N ' ' HG3' ' B' ' 303' ' ' GLU . 4.2 pt20 -71.08 -31.35 67.71 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.151 -0.968 . . . . 0.0 109.644 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 305' ' ' VAL . . . . . 0.897 HG23 ' O ' ' B' ' 301' ' ' LEU . 54.4 t -64.6 -40.97 90.89 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 O-C-N 121.101 -0.999 . . . . 0.0 109.031 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.19 80.7 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.319 -0.863 . . . . 0.0 109.185 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 307' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -61.28 -38.38 86.55 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.329 -0.857 . . . . 0.0 109.029 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 308' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.304 -1.37 0 O-C-N 121.348 -0.845 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.091 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -15.5 54.68 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.171 -1.194 . . . . 0.0 109.446 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 277' ' ' ILE . . . . . . . . . . . . . 20.7 mt -78.41 -48.49 22.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 121.273 -0.892 . . . . 0.0 109.356 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . -48.26 -40.14 23.73 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.15 -0.969 . . . . 0.0 109.427 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -51.94 9.93 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.228 -0.92 . . . . 0.0 109.542 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 280' ' ' LEU . . . . . 0.501 HD12 ' HB3' ' B' ' 280' ' ' LEU . 1.6 mm? -47.81 -40.69 21.74 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.181 -0.949 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -71.95 -40.07 68.96 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.274 -0.891 . . . . 0.0 109.139 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.07 -38.15 64.99 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.224 -0.923 . . . . 0.0 108.96 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -58.07 4.23 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.341 -0.849 . . . . 0.0 109.025 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 284' ' ' VAL . . . . . 0.725 HG12 ' HE2' ' A' ' 288' ' ' LYS . 43.5 t -46.84 -28.5 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.401 -0.812 . . . . 0.0 109.059 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.18 -49.57 34.53 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.37 -0.831 . . . . 0.0 108.952 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -47.76 69.74 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.335 -0.853 . . . . 0.0 108.952 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 287' ' ' LEU . . . . . . . . . . . . . 4.0 mt -57.13 -46.87 82.31 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.26 -0.9 . . . . 0.0 109.39 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 288' ' ' LYS . . . . . 0.725 ' HE2' HG12 ' A' ' 284' ' ' VAL . 0.0 OUTLIER -50.27 -52.39 36.75 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.252 -0.905 . . . . 0.0 109.042 179.811 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 289' ' ' ALA . . . . . . . . . . . . . . . -50.14 -64.72 0.72 Allowed 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.337 -0.852 . . . . 0.0 109.264 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 290' ' ' GLN . . . . . 0.434 ' HA ' ' OE1' ' A' ' 293' ' ' GLU . 2.0 mt-30 -48.59 -36.08 14.89 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.285 -0.884 . . . . 0.0 109.296 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -59.16 -66.27 0.53 Allowed 'General case' 0 C--N 1.307 -1.264 0 O-C-N 121.29 -0.881 . . . . 0.0 109.325 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 12.8 p -49.9 -43.97 49.84 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.211 -0.931 . . . . 0.0 109.408 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 293' ' ' GLU . . . . . 0.434 ' OE1' ' HA ' ' A' ' 290' ' ' GLN . 15.0 mt-10 -54.46 -69.81 0.12 Allowed 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.347 -0.845 . . . . 0.0 109.376 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 294' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' B' ' 295' ' ' ALA . 2.9 mt -44.84 -55.11 5.68 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.345 -0.847 . . . . 0.0 109.682 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 295' ' ' ALA . . . . . 0.406 ' HA ' HD22 ' B' ' 294' ' ' LEU . . . -47.92 -39.67 19.71 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.201 -0.937 . . . . 0.0 109.838 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 6.1 m -62.49 -60.16 3.93 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.199 -0.938 . . . . 0.0 109.514 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 4.7 m -47.16 -44.5 21.94 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.186 -0.946 . . . . 0.0 109.439 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 298' ' ' ALA . . . . . . . . . . . . . . . -65.27 -36.67 84.82 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.144 -0.972 . . . . 0.0 109.396 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -60.44 -54.79 41.38 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.323 -0.861 . . . . 0.0 109.375 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 300' ' ' MET . . . . . 0.515 ' O ' ' N ' ' A' ' 303' ' ' GLU . 0.2 OUTLIER -57.45 -51.78 68.03 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.2 -0.937 . . . . 0.0 109.193 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.788 HD13 ' HB3' ' B' ' 301' ' ' LEU . 16.0 mt -46.57 -37.77 8.53 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.206 -0.934 . . . . 0.0 108.89 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -75.33 -24.36 57.37 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.361 -0.837 . . . . 0.0 109.504 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 303' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 300' ' ' MET . 5.3 tp10 -72.37 -45.14 61.12 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.241 -0.912 . . . . 0.0 109.151 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 304' ' ' GLN . . . . . 0.611 ' OE1' HD23 ' A' ' 301' ' ' LEU . 0.9 OUTLIER -73.91 -28.36 61.5 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.267 -0.896 . . . . 0.0 109.212 179.793 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 305' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 301' ' ' LEU . 51.4 t -73.74 -41.21 54.57 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 O-C-N 121.248 -0.908 . . . . 0.0 109.182 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.91 72.99 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.335 -0.853 . . . . 0.0 109.244 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 307' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 304' ' ' GLN . 0.0 OUTLIER -65.28 -29.95 70.77 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.192 -0.943 . . . . 0.0 109.067 179.762 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.451 ' N ' ' OE1' ' A' ' 307' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.304 -1.385 0 O-C-N 121.278 -0.889 . . . . 0.0 109.128 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -1.013 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.05 -15.76 55.17 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.291 -1.123 . . . . 0.0 109.513 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 277' ' ' ILE . . . . . . . . . . . . . 21.2 mt -78.34 -48.47 22.68 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.211 -0.93 . . . . 0.0 109.355 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 278' ' ' ALA . . . . . . . . . . . . . . . -48.41 -39.83 23.88 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.147 -0.971 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -51.56 10.45 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.183 -0.948 . . . . 0.0 109.42 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 280' ' ' LEU . . . . . 0.501 ' HB3' HD12 ' A' ' 280' ' ' LEU . 1.5 mm? -48.26 -40.63 25.3 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.186 -0.946 . . . . 0.0 109.374 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -71.85 -39.96 69.34 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.229 -0.92 . . . . 0.0 109.225 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.28 -38.26 65.67 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.262 -0.899 . . . . 0.0 108.929 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -58.08 4.28 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.414 -0.804 . . . . 0.0 109.047 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 284' ' ' VAL . . . . . 0.71 HG12 ' HE2' ' B' ' 288' ' ' LYS . 43.3 t -46.76 -28.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 O-C-N 121.348 -0.845 . . . . 0.0 109.12 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.07 -50.01 31.82 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.265 -0.897 . . . . 0.0 109.054 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 286' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -47.89 67.87 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.213 -0.929 . . . . 0.0 109.015 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 287' ' ' LEU . . . . . . . . . . . . . 4.0 mt -57.3 -46.8 82.8 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.388 -0.82 . . . . 0.0 109.294 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 288' ' ' LYS . . . . . 0.71 ' HE2' HG12 ' B' ' 284' ' ' VAL . 0.0 OUTLIER -50.16 -52.32 36.32 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.248 -0.908 . . . . 0.0 109.011 179.747 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 289' ' ' ALA . . . . . . . . . . . . . . . -50.36 -65.48 0.55 Allowed 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.338 -0.851 . . . . 0.0 109.294 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 290' ' ' GLN . . . . . 0.439 ' HA ' ' OE1' ' B' ' 293' ' ' GLU . 2.0 mt-30 -48.21 -35.72 12.4 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.29 -0.881 . . . . 0.0 109.284 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -59.94 -64.79 0.82 Allowed 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.351 -0.843 . . . . 0.0 109.358 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 12.3 p -51.35 -43.68 61.87 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.125 -0.985 . . . . 0.0 109.21 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 293' ' ' GLU . . . . . 0.439 ' OE1' ' HA ' ' B' ' 290' ' ' GLN . 15.0 mt-10 -54.48 -69.49 0.13 Allowed 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.303 -0.873 . . . . 0.0 109.417 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 294' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 295' ' ' ALA . 2.9 mt -44.93 -54.62 6.29 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.343 -0.848 . . . . 0.0 109.66 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 295' ' ' ALA . . . . . 0.438 ' HA ' HD22 ' A' ' 294' ' ' LEU . . . -48.16 -39.61 21.32 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.322 -0.861 . . . . 0.0 109.835 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 5.8 m -62.72 -60.1 3.97 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.085 -1.01 . . . . 0.0 109.58 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 4.3 m -47.25 -44.16 22.66 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.184 -0.947 . . . . 0.0 109.414 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.52 83.83 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.286 -0.884 . . . . 0.0 109.239 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -60.53 -55.27 35.49 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.242 -0.911 . . . . 0.0 109.354 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 300' ' ' MET . . . . . 0.514 ' O ' ' N ' ' B' ' 303' ' ' GLU . 0.2 OUTLIER -57.04 -51.58 68.7 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.214 -0.928 . . . . 0.0 109.164 179.796 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 301' ' ' LEU . . . . . 0.788 ' HB3' HD13 ' A' ' 301' ' ' LEU . 15.9 mt -46.56 -37.81 8.56 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.107 -0.996 . . . . 0.0 109.044 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -75.38 -24.04 57.17 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.302 -0.874 . . . . 0.0 109.448 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 303' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' B' ' 300' ' ' MET . 5.3 tp10 -72.66 -45.03 60.96 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.307 -0.87 . . . . 0.0 109.085 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 304' ' ' GLN . . . . . 0.609 ' OE1' HD23 ' B' ' 301' ' ' LEU . 0.9 OUTLIER -74.07 -28.17 61.26 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.326 -0.859 . . . . 0.0 109.243 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 305' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 301' ' ' LEU . 53.6 t -73.82 -41.41 53.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.249 -0.907 . . . . 0.0 109.174 179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -62.81 -49.94 72.95 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.348 -0.845 . . . . 0.0 109.227 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 307' ' ' GLN . . . . . 0.465 ' HG3' ' O ' ' B' ' 304' ' ' GLN . 0.0 OUTLIER -65.2 -30.01 70.87 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.209 -0.932 . . . . 0.0 109.096 179.679 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 308' ' ' LEU . . . . . 0.447 ' N ' ' OE1' ' B' ' 307' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.305 -1.358 0 O-C-N 121.324 -0.86 . . . . 0.0 109.003 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.051 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -93.72 -27.46 16.5 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.209 -1.171 . . . . 0.0 109.365 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 277' ' ' ILE . . . . . 0.757 HG22 HG22 ' B' ' 277' ' ' ILE . 2.1 pp -65.52 -49.59 77.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 O-C-N 121.352 -0.843 . . . . 0.0 109.958 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 278' ' ' ALA . . . . . 0.737 ' N ' HD12 ' A' ' 277' ' ' ILE . . . -62.78 -25.54 68.28 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.145 -0.972 . . . . 0.0 109.367 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 279' ' ' ARG . . . . . 0.423 ' HD3' ' HA ' ' A' ' 279' ' ' ARG . 15.0 mmt180 -70.35 -65.19 0.76 Allowed 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.191 -0.943 . . . . 0.0 109.176 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.38 -22.12 4.31 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.234 -0.916 . . . . 0.0 108.92 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 281' ' ' GLU . . . . . 0.437 ' HA ' ' OE1' ' A' ' 281' ' ' GLU . 4.5 mm-40 -68.16 -53.38 25.52 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.431 -0.793 . . . . 0.0 109.098 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -56.66 -33.23 66.15 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.155 -0.966 . . . . 0.0 108.813 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -65.58 -42.12 92.12 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.36 -0.838 . . . . 0.0 108.997 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 284' ' ' VAL . . . . . 0.889 HG22 HG22 ' B' ' 284' ' ' VAL . 53.3 t -61.51 -30.51 48.3 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 O-C-N 121.388 -0.82 . . . . 0.0 108.913 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -66.14 -54.71 22.14 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.255 -0.903 . . . . 0.0 109.386 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.58 -46.61 63.56 Favored 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.147 -0.971 . . . . 0.0 109.014 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 287' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.16 -46.94 65.68 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 121.218 -0.926 . . . . 0.0 108.847 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 288' ' ' LYS . . . . . 0.429 ' HD3' ' O ' ' A' ' 284' ' ' VAL . 1.5 mptp? -53.64 -42.33 67.7 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.401 -0.812 . . . . 0.0 109.066 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 289' ' ' ALA . . . . . . . . . . . . . . . -54.76 -58.07 9.0 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.282 -0.886 . . . . 0.0 109.597 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 290' ' ' GLN . . . . . 0.426 ' O ' ' HB2' ' A' ' 293' ' ' GLU . 34.6 mt-30 -50.14 -35.73 27.1 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.411 -0.806 . . . . 0.0 109.84 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -60.44 -49.36 77.87 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.138 -0.976 . . . . 0.0 109.163 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.12 -30.56 70.45 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.098 -1.001 . . . . 0.0 109.008 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 293' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 290' ' ' GLN . 12.4 mt-10 -61.27 -61.25 2.69 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.299 -0.876 . . . . 0.0 109.25 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.02 -28.04 62.14 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.324 -0.86 . . . . 0.0 109.494 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -61.24 -46.81 88.84 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.28 -0.887 . . . . 0.0 109.556 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -43.16 91.91 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.289 -0.882 . . . . 0.0 109.511 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 67.7 m -54.33 -42.01 69.7 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.188 -0.945 . . . . 0.0 109.719 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 298' ' ' ALA . . . . . . . . . . . . . . . -63.02 -55.25 27.28 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.294 -0.879 . . . . 0.0 109.678 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -57.3 -19.25 20.86 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.074 -1.016 . . . . 0.0 109.523 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 300' ' ' MET . . . . . 0.506 ' O ' ' CG ' ' A' ' 303' ' ' GLU . 0.0 OUTLIER -75.25 -61.85 1.76 Allowed 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.25 -0.906 . . . . 0.0 109.256 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 301' ' ' LEU . . . . . 0.581 HD23 ' OE1' ' A' ' 304' ' ' GLN . 4.7 mt -59.41 -19.33 46.34 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.235 -0.916 . . . . 0.0 109.198 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -79.02 -38.97 35.26 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.179 -0.951 . . . . 0.0 109.958 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 303' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 300' ' ' MET . 7.8 pt-20 -69.93 -32.39 70.64 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.18 -0.95 . . . . 0.0 109.487 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 304' ' ' GLN . . . . . 0.581 ' OE1' HD23 ' A' ' 301' ' ' LEU . 13.4 pt20 -75.82 -39.66 56.37 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.179 -0.951 . . . . 0.0 109.52 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 305' ' ' VAL . . . . . 0.547 ' N ' ' HG3' ' A' ' 304' ' ' GLN . 53.5 t -71.1 -26.82 27.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 O-C-N 121.205 -0.935 . . . . 0.0 109.357 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -71.81 -51.37 22.86 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.183 -0.948 . . . . 0.0 108.969 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 307' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 303' ' ' GLU . 2.6 pt20 -66.69 -22.35 66.08 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.376 -0.827 . . . . 0.0 109.099 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 304' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.305 -1.338 0 O-C-N 121.344 -0.848 . . . . 0.0 109.419 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -1.123 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -94.75 -27.38 15.83 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.36 -1.083 . . . . 0.0 109.372 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 277' ' ' ILE . . . . . 0.757 HG22 HG22 ' A' ' 277' ' ' ILE . 2.2 pp -65.62 -49.23 79.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 O-C-N 121.228 -0.92 . . . . 0.0 110.051 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 278' ' ' ALA . . . . . 0.734 ' N ' HD12 ' B' ' 277' ' ' ILE . . . -62.84 -25.84 68.47 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.071 -1.018 . . . . 0.0 109.215 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 279' ' ' ARG . . . . . 0.421 ' HD3' ' HA ' ' B' ' 279' ' ' ARG . 15.0 mmt180 -70.12 -65.51 0.71 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.227 -0.921 . . . . 0.0 109.136 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 280' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.02 -22.32 3.93 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.224 -0.922 . . . . 0.0 108.921 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 281' ' ' GLU . . . . . 0.435 ' HA ' ' OE1' ' B' ' 281' ' ' GLU . 4.4 mm-40 -68.01 -53.79 23.26 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.452 -0.78 . . . . 0.0 109.153 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -56.27 -33.13 65.19 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.194 -0.941 . . . . 0.0 108.877 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -65.69 -42.05 91.66 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.357 -0.84 . . . . 0.0 108.928 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 284' ' ' VAL . . . . . 0.889 HG22 HG22 ' A' ' 284' ' ' VAL . 54.7 t -61.42 -30.6 48.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.331 -0.855 . . . . 0.0 108.792 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -66.15 -55.45 16.31 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.472 -0.768 . . . . 0.0 109.272 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 286' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.85 -46.61 60.22 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.201 -0.937 . . . . 0.0 109.039 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 287' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.08 -46.95 65.39 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.368 -0.833 . . . . 0.0 108.76 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 288' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' B' ' 284' ' ' VAL . 1.5 mptp? -53.87 -42.35 68.5 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.347 -0.846 . . . . 0.0 109.064 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 289' ' ' ALA . . . . . . . . . . . . . . . -54.26 -58.01 9.02 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.376 -0.828 . . . . 0.0 109.558 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 290' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -51.11 -33.29 25.77 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.445 -0.784 . . . . 0.0 109.732 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -61.59 -47.59 84.78 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.23 -0.919 . . . . 0.0 109.264 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.05 -30.39 71.47 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.284 -0.885 . . . . 0.0 109.31 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -60.99 -61.66 2.42 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.283 -0.886 . . . . 0.0 109.302 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 294' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' B' ' 294' ' ' LEU . 97.6 mt -56.73 -28.24 60.7 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.345 -0.847 . . . . 0.0 109.491 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -60.99 -47.12 87.95 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.334 -0.854 . . . . 0.0 109.523 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.11 -43.79 90.85 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.228 -0.92 . . . . 0.0 109.513 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 66.4 m -53.56 -42.04 67.12 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.273 -0.892 . . . . 0.0 109.668 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -63.08 -55.62 23.92 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.16 -0.962 . . . . 0.0 109.582 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -56.96 -19.04 15.89 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.254 -0.904 . . . . 0.0 109.613 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 300' ' ' MET . . . . . 0.502 ' O ' ' CG ' ' B' ' 303' ' ' GLU . 0.0 OUTLIER -75.18 -61.91 1.74 Allowed 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.158 -0.964 . . . . 0.0 109.317 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 301' ' ' LEU . . . . . 0.563 HD23 ' OE1' ' B' ' 304' ' ' GLN . 4.5 mt -59.5 -19.15 45.95 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.201 -0.937 . . . . 0.0 109.147 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -79.05 -38.93 35.23 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.252 -0.905 . . . . 0.0 109.824 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 303' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' B' ' 300' ' ' MET . 8.0 pt-20 -70.02 -32.38 70.51 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.073 -1.017 . . . . 0.0 109.524 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 304' ' ' GLN . . . . . 0.563 ' OE1' HD23 ' B' ' 301' ' ' LEU . 13.6 pt20 -75.89 -39.78 55.75 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.262 -0.899 . . . . 0.0 109.383 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 305' ' ' VAL . . . . . 0.534 ' N ' ' HG3' ' B' ' 304' ' ' GLN . 53.2 t -70.83 -26.89 28.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.367 -0.833 . . . . 0.0 109.349 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -71.79 -51.35 23.02 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.285 -0.884 . . . . 0.0 109.1 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 307' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' B' ' 303' ' ' GLU . 2.7 pt20 -66.7 -22.28 66.07 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.159 -0.963 . . . . 0.0 109.123 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 308' ' ' LEU . . . . . 0.505 HD12 ' O ' ' B' ' 304' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.304 -1.38 0 O-C-N 121.414 -0.804 . . . . 0.0 109.433 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.796 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 273' ' ' CYS . . . . . . . . . . . . . 61.5 m -58.58 162.93 3.49 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.329 -0.857 . . . . 0.0 109.462 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 274' ' ' GLY . . . . . . . . . . . . . . . -178.73 71.5 0.07 OUTLIER Glycine 0 C--N 1.304 -1.238 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . 179.35 -56.68 0.08 OUTLIER Glycine 0 C--N 1.305 -1.191 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -70.19 -24.94 63.21 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.295 -1.12 . . . . 0.0 109.584 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 277' ' ' ILE . . . . . 0.634 ' H ' HD12 ' A' ' 277' ' ' ILE . 5.1 mp -71.71 -62.49 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 O-C-N 121.27 -0.894 . . . . 0.0 109.466 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 278' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' A' ' 281' ' ' GLU . . . -47.64 -41.94 23.31 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.37 -0.831 . . . . 0.0 109.565 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -58.26 9.4 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 121.138 -0.976 . . . . 0.0 109.407 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 13.4 mt -47.97 -28.47 2.76 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.138 -0.976 . . . . 0.0 109.416 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 281' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 278' ' ' ALA . 0.5 OUTLIER -70.78 -52.61 19.56 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.287 -0.883 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -52.85 -36.5 59.02 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.254 -0.904 . . . . 0.0 109.066 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.35 -46.73 75.77 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.397 -0.814 . . . . 0.0 109.214 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 284' ' ' VAL . . . . . 0.542 HG22 HG22 ' B' ' 284' ' ' VAL . 78.4 t -61.63 -19.2 20.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.299 -0.876 . . . . 0.0 109.143 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -77.72 -47.61 18.69 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.293 -0.879 . . . . 0.0 109.281 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . 3.5 m -64.66 -31.7 73.04 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.252 -0.905 . . . . 0.0 109.403 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 287' ' ' LEU . . . . . 0.522 ' CD1' HG13 ' B' ' 284' ' ' VAL . 56.1 mt -69.84 -51.73 30.97 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.321 -0.862 . . . . 0.0 109.53 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -34.19 70.24 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.217 -0.927 . . . . 0.0 109.427 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 289' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 290' ' ' GLN . . . -64.24 -68.15 0.37 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.285 -0.885 . . . . 0.0 109.601 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 290' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 289' ' ' ALA . 10.0 mt-30 -43.77 -36.84 2.44 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.504 -0.748 . . . . 0.0 109.56 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -58.08 -52.12 66.87 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.311 -0.868 . . . . 0.0 109.352 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 27.4 m -61.77 -23.75 66.39 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 121.256 -0.902 . . . . 0.0 109.373 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.21 -68.34 0.41 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.23 -0.919 . . . . 0.0 109.462 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 294' ' ' LEU . . . . . 0.718 HD22 ' HA ' ' B' ' 295' ' ' ALA . 1.8 mt -56.02 -19.3 12.13 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.204 -0.935 . . . . 0.0 109.692 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 295' ' ' ALA . . . . . 0.701 ' HA ' HD22 ' B' ' 294' ' ' LEU . . . -71.96 -49.97 32.89 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.083 -1.011 . . . . 0.0 109.315 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.48 -35.79 82.07 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.215 -0.928 . . . . 0.0 109.276 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 9.3 m -60.59 -51.31 69.95 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.378 -0.826 . . . . 0.0 109.215 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 298' ' ' ALA . . . . . 0.412 ' HA ' HD12 ' A' ' 301' ' ' LEU . . . -61.96 -28.99 69.94 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.232 -0.918 . . . . 0.0 109.293 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -68.52 -34.49 75.97 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.213 -0.929 . . . . 0.0 109.375 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -43.76 58.79 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.196 -0.94 . . . . 0.0 109.464 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 305' ' ' VAL . 2.9 mt -68.73 -20.54 64.39 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.375 -0.828 . . . . 0.0 109.541 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 20.6 mtt180 -78.68 -53.77 6.8 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.217 -0.927 . . . . 0.0 109.512 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 303' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 307' ' ' GLN . 14.5 pt-20 -60.34 -36.71 78.6 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.263 -0.898 . . . . 0.0 109.725 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 304' ' ' GLN . . . . . 0.53 ' HG3' ' N ' ' A' ' 305' ' ' VAL . 3.0 pt20 -73.6 -41.32 63.02 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.065 -1.022 . . . . 0.0 109.663 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 305' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 301' ' ' LEU . 55.8 t -69.63 -16.15 20.15 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 O-C-N 121.256 -0.902 . . . . 0.0 109.11 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 306' ' ' ALA . . . . . 0.469 ' O ' ' HG2' ' A' ' 310' ' ' GLN . . . -81.47 -48.86 11.31 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.356 -0.84 . . . . 0.0 109.196 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 307' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 303' ' ' GLU . 50.9 mt-30 -63.64 -36.92 85.41 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.239 -0.913 . . . . 0.0 109.01 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.64 -47.01 64.88 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.34 -0.85 . . . . 0.0 109.23 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -51.95 -45.53 64.41 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.354 -0.841 . . . . 0.0 109.36 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 310' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 306' ' ' ALA . 27.3 mm100 -59.2 -41.86 89.54 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.403 -0.811 . . . . 0.0 109.538 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 311' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -29.34 70.62 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.159 -0.963 . . . . 0.0 109.515 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 312' ' ' VAL . . . . . . . . . . . . . 70.8 t -78.51 -22.82 13.21 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 O-C-N 121.229 -0.92 . . . . 0.0 109.472 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 313' ' ' MET . . . . . . . . . . . . . 3.3 mmt -67.75 92.69 0.35 Allowed 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.228 -0.92 . . . . 0.0 109.344 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 314' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -176.46 51.21 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.304 -0.873 . . . . 0.0 109.476 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 315' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--N 1.305 -1.326 0 CA-C-O 117.968 -1.015 . . . . 0.0 109.402 -179.623 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.797 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 273' ' ' CYS . . . . . . . . . . . . . 61.3 m -59.38 162.66 4.57 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.303 -0.873 . . . . 0.0 109.578 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -178.3 71.79 0.07 OUTLIER Glycine 0 C--N 1.305 -1.148 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . 178.81 -56.9 0.09 OUTLIER Glycine 0 C--N 1.306 -1.103 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -69.95 -24.52 63.36 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.241 -1.152 . . . . 0.0 109.632 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 277' ' ' ILE . . . . . 0.634 HD12 ' H ' ' B' ' 277' ' ' ILE . 5.1 mp -72.22 -62.65 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 O-C-N 121.142 -0.974 . . . . 0.0 109.437 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 278' ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' B' ' 281' ' ' GLU . . . -47.66 -41.84 23.23 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.269 -0.894 . . . . 0.0 109.581 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -58.13 9.96 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.246 -0.909 . . . . 0.0 109.437 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 280' ' ' LEU . . . . . . . . . . . . . 13.6 mt -48.15 -28.43 2.95 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.152 -0.967 . . . . 0.0 109.351 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 281' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' B' ' 278' ' ' ALA . 0.5 OUTLIER -70.69 -52.94 17.77 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.298 -0.877 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -52.45 -36.68 55.26 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.158 -0.964 . . . . 0.0 109.061 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.13 -46.92 75.83 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.407 -0.808 . . . . 0.0 109.264 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 284' ' ' VAL . . . . . 0.542 HG22 HG22 ' A' ' 284' ' ' VAL . 79.0 t -61.64 -18.93 19.92 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 O-C-N 121.275 -0.89 . . . . 0.0 109.238 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -77.97 -47.4 18.65 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.327 -0.858 . . . . 0.0 109.368 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 286' ' ' THR . . . . . . . . . . . . . 3.5 m -64.74 -32.22 73.8 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.299 -0.876 . . . . 0.0 109.372 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 287' ' ' LEU . . . . . 0.52 ' CD1' HG13 ' A' ' 284' ' ' VAL . 55.2 mt -69.41 -51.71 33.82 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.238 -0.913 . . . . 0.0 109.518 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -33.87 70.11 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.215 -0.928 . . . . 0.0 109.5 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 289' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' B' ' 290' ' ' GLN . . . -64.51 -68.22 0.37 Allowed 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.25 -0.906 . . . . 0.0 109.676 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 290' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' B' ' 289' ' ' ALA . 9.6 mt-30 -43.67 -34.45 1.48 Allowed 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.512 -0.742 . . . . 0.0 109.61 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -60.01 -54.35 47.12 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.356 -0.84 . . . . 0.0 109.184 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 21.9 m -59.35 -23.16 62.3 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.32 -0.862 . . . . 0.0 109.341 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -70.15 -68.62 0.41 Allowed 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.29 -0.881 . . . . 0.0 109.535 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 294' ' ' LEU . . . . . 0.701 HD22 ' HA ' ' A' ' 295' ' ' ALA . 1.9 mt -56.11 -18.93 11.19 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.307 -0.871 . . . . 0.0 109.683 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 295' ' ' ALA . . . . . 0.718 ' HA ' HD22 ' A' ' 294' ' ' LEU . . . -72.29 -49.92 31.02 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.164 -0.96 . . . . 0.0 109.376 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -36.16 83.3 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.181 -0.949 . . . . 0.0 109.205 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 9.5 m -60.21 -51.67 68.59 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.242 -0.911 . . . . 0.0 109.246 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 298' ' ' ALA . . . . . 0.429 ' HA ' HD12 ' B' ' 301' ' ' LEU . . . -61.71 -29.18 69.93 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.238 -0.914 . . . . 0.0 109.307 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -68.37 -34.56 76.28 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.313 -0.867 . . . . 0.0 109.39 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 300' ' ' MET . . . . . 0.405 ' O ' ' HG2' ' B' ' 303' ' ' GLU . 0.0 OUTLIER -73.49 -43.51 59.98 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.311 -0.868 . . . . 0.0 109.464 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 301' ' ' LEU . . . . . 0.611 ' O ' HG23 ' B' ' 305' ' ' VAL . 2.8 mt -69.24 -20.3 63.94 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.328 -0.857 . . . . 0.0 109.544 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -78.83 -53.01 7.53 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.31 -0.869 . . . . 0.0 109.488 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 303' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' B' ' 307' ' ' GLN . 14.5 pt-20 -60.98 -36.78 80.34 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.262 -0.899 . . . . 0.0 109.735 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 304' ' ' GLN . . . . . 0.506 ' HG3' ' N ' ' B' ' 305' ' ' VAL . 3.0 pt20 -73.62 -41.1 63.24 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.165 -0.96 . . . . 0.0 109.664 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 305' ' ' VAL . . . . . 0.611 HG23 ' O ' ' B' ' 301' ' ' LEU . 54.7 t -69.72 -16.29 20.24 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 121.239 -0.913 . . . . 0.0 109.167 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 306' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' B' ' 310' ' ' GLN . . . -81.54 -48.62 11.57 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.331 -0.855 . . . . 0.0 109.294 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 307' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' B' ' 303' ' ' GLU . 50.9 mt-30 -63.81 -37.08 86.06 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.206 -0.934 . . . . 0.0 108.934 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 308' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.48 -46.44 66.62 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.401 -0.812 . . . . 0.0 109.198 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 309' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -52.41 -45.74 66.02 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.295 -0.878 . . . . 0.0 109.344 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 310' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' B' ' 306' ' ' ALA . 26.5 mm100 -59.09 -41.9 89.16 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.314 -0.866 . . . . 0.0 109.614 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 311' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -29.24 70.58 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.224 -0.923 . . . . 0.0 109.513 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 312' ' ' VAL . . . . . . . . . . . . . 72.5 t -78.62 -23.1 13.12 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 O-C-N 121.246 -0.908 . . . . 0.0 109.446 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 3.3 mmt -67.42 92.28 0.29 Allowed 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.201 -0.937 . . . . 0.0 109.389 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 314' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -176.1 51.46 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.247 -0.908 . . . . 0.0 109.467 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 315' ' ' TYR . . . . . . . . . . . . . 22.6 t80 . . . . . 0 C--N 1.305 -1.339 0 CA-C-O 118.012 -0.994 . . . . 0.0 109.388 -179.86 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.733 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 273' ' ' CYS . . . . . 0.491 ' SG ' HD11 ' A' ' 277' ' ' ILE . 0.1 OUTLIER -131.92 96.21 3.87 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.265 -0.897 . . . . 0.0 109.421 . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 274' ' ' GLY . . . . . 0.487 ' N ' HD12 ' A' ' 277' ' ' ILE . . . 159.18 -29.99 0.42 Allowed Glycine 0 C--N 1.306 -1.1 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . -104.83 -22.67 8.26 Favored Glycine 0 C--N 1.305 -1.168 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 276' ' ' ARG . . . . . 0.413 ' NH2' ' HG2' ' A' ' 276' ' ' ARG . 0.0 OUTLIER -90.48 -22.55 21.32 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.168 -1.195 . . . . 0.0 109.354 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 277' ' ' ILE . . . . . 0.491 HD11 ' SG ' ' A' ' 273' ' ' CYS . 4.6 mt -72.49 -35.5 51.5 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 121.268 -0.895 . . . . 0.0 109.452 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . -61.31 -48.84 79.53 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.174 -0.954 . . . . 0.0 109.222 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -63.32 -47.1 83.64 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.328 -0.858 . . . . 0.0 109.412 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 5.1 mt -54.04 -45.81 71.72 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.347 -0.845 . . . . 0.0 109.721 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.36 -48.98 78.83 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.175 -0.953 . . . . 0.0 109.549 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.69 -29.63 69.44 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.227 -0.921 . . . . 0.0 109.127 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.66 -49.22 41.84 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.311 -0.868 . . . . 0.0 109.543 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 284' ' ' VAL . . . . . 0.584 HG22 HG22 ' B' ' 284' ' ' VAL . 98.5 t -60.53 -27.26 39.87 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.26 -0.9 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -52.27 22.56 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.208 -0.932 . . . . 0.0 109.289 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 286' ' ' THR . . . . . 0.535 ' O ' ' HB3' ' A' ' 289' ' ' ALA . 0.0 OUTLIER -55.24 -47.15 75.81 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.27 -0.894 . . . . 0.0 109.336 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 287' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.25 -55.72 19.43 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.285 -0.885 . . . . 0.0 109.134 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.49 -37.92 41.3 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.217 -0.927 . . . . 0.0 109.184 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 289' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 286' ' ' THR . . . -55.17 -64.08 0.95 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.32 -0.862 . . . . 0.0 109.373 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 290' ' ' GLN . . . . . 0.454 ' HA ' ' HB2' ' A' ' 293' ' ' GLU . 27.9 mt-30 -48.23 -41.99 29.02 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.366 -0.834 . . . . 0.0 109.409 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -52.22 -62.03 1.9 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.38 -0.825 . . . . 0.0 109.609 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.55 -24.92 66.97 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.22 -0.925 . . . . 0.0 109.638 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 293' ' ' GLU . . . . . 0.454 ' HB2' ' HA ' ' A' ' 290' ' ' GLN . 17.8 mt-10 -70.32 -75.92 0.11 Allowed 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.183 -0.948 . . . . 0.0 109.631 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 1.2 mt -51.42 -46.54 62.97 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.228 -0.92 . . . . 0.0 109.771 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -47.9 -59.09 3.6 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.122 -0.986 . . . . 0.0 109.609 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.64 -48.78 39.4 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.264 -0.898 . . . . 0.0 109.673 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 6.7 m -56.17 -53.62 54.96 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.196 -0.94 . . . . 0.0 109.513 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 298' ' ' ALA . . . . . 0.98 ' HB2' ' HB2' ' B' ' 298' ' ' ALA . . . -57.82 -26.09 61.52 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.228 -0.92 . . . . 0.0 109.463 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -70.8 -50.12 39.08 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.25 -0.906 . . . . 0.0 109.617 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 300' ' ' MET . . . . . 0.443 ' O ' ' HG2' ' A' ' 304' ' ' GLN . 41.2 ttm -64.74 -52.75 55.42 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.248 -0.907 . . . . 0.0 109.68 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 74.4 mt -46.89 -56.8 5.72 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.235 -0.916 . . . . 0.0 109.689 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -37.99 64.97 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.234 -0.916 . . . . 0.0 109.741 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 303' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 307' ' ' GLN . 1.7 mm-40 -61.66 -42.6 99.14 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.143 -0.973 . . . . 0.0 109.696 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 304' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 300' ' ' MET . 33.9 mm-40 -65.19 -60.64 2.78 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.132 -0.98 . . . . 0.0 109.143 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 305' ' ' VAL . . . . . 0.823 HG22 HG22 ' B' ' 305' ' ' VAL . 4.5 t -53.5 -24.84 9.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.271 -0.893 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 306' ' ' ALA . . . . . 0.494 ' O ' ' CG ' ' A' ' 310' ' ' GLN . . . -74.92 -45.58 41.61 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.314 -0.866 . . . . 0.0 109.511 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 307' ' ' GLN . . . . . 0.416 ' HG2' ' HA ' ' A' ' 304' ' ' GLN . 3.2 pt20 -76.86 -17.98 58.64 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.334 -0.854 . . . . 0.0 109.388 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 312' ' ' VAL . 0.3 OUTLIER -84.66 -49.59 8.39 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.338 -0.851 . . . . 0.0 109.314 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -70.56 -45.01 66.23 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.247 -0.908 . . . . 0.0 109.316 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 310' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 306' ' ' ALA . 9.4 mm100 -54.27 -41.19 68.56 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.283 -0.886 . . . . 0.0 109.306 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 311' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -60.02 -36.59 77.57 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.263 -0.898 . . . . 0.0 109.686 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 312' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 308' ' ' LEU . 18.0 t -77.67 -46.31 27.45 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 O-C-N 121.268 -0.895 . . . . 0.0 109.66 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 313' ' ' MET . . . . . 0.46 ' O ' ' O ' ' A' ' 314' ' ' ASN . 0.4 OUTLIER -81.38 125.35 30.29 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.196 -0.94 . . . . 0.0 109.53 -179.853 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 314' ' ' ASN . . . . . 0.46 ' O ' ' O ' ' A' ' 313' ' ' MET . 1.6 t-20 56.36 165.18 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.247 -0.908 . . . . 0.0 109.441 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 315' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.307 -1.254 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.414 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.78 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 273' ' ' CYS . . . . . 0.5 ' SG ' HD11 ' B' ' 277' ' ' ILE . 0.1 OUTLIER -131.32 96.05 3.92 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.299 -0.876 . . . . 0.0 109.446 . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 274' ' ' GLY . . . . . 0.486 ' N ' HD12 ' B' ' 277' ' ' ILE . . . 159.51 -30.89 0.42 Allowed Glycine 0 C--N 1.305 -1.163 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . -104.19 -22.72 8.52 Favored Glycine 0 C--N 1.304 -1.211 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 276' ' ' ARG . . . . . 0.405 ' NH2' ' HG2' ' B' ' 276' ' ' ARG . 0.0 OUTLIER -90.12 -23.34 21.39 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.179 -1.189 . . . . 0.0 109.428 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 277' ' ' ILE . . . . . 0.5 HD11 ' SG ' ' B' ' 273' ' ' CYS . 4.7 mt -71.73 -35.45 55.45 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 O-C-N 121.309 -0.869 . . . . 0.0 109.445 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 278' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.01 78.66 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.169 -0.957 . . . . 0.0 109.268 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -63.19 -46.98 84.55 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.259 -0.901 . . . . 0.0 109.418 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 280' ' ' LEU . . . . . . . . . . . . . 5.1 mt -54.23 -45.51 72.32 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.231 -0.918 . . . . 0.0 109.656 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.67 -49.03 78.16 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.167 -0.958 . . . . 0.0 109.504 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -29.35 69.17 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.219 -0.926 . . . . 0.0 109.172 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.94 -49.04 40.96 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.374 -0.829 . . . . 0.0 109.513 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 284' ' ' VAL . . . . . 0.584 HG22 HG22 ' A' ' 284' ' ' VAL . 98.4 t -60.76 -27.92 41.93 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 O-C-N 121.219 -0.925 . . . . 0.0 109.267 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -52.3 25.54 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.264 -0.897 . . . . 0.0 109.295 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 286' ' ' THR . . . . . 0.537 ' O ' ' HB3' ' B' ' 289' ' ' ALA . 0.0 OUTLIER -55.01 -47.78 74.24 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.16 -0.963 . . . . 0.0 109.323 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 287' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.69 -55.72 17.88 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.203 -0.935 . . . . 0.0 109.139 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.66 -37.32 40.16 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.343 -0.848 . . . . 0.0 109.254 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 289' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' B' ' 286' ' ' THR . . . -55.88 -63.55 1.14 Allowed 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.382 -0.824 . . . . 0.0 109.486 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 290' ' ' GLN . . . . . 0.454 ' HA ' ' HB2' ' B' ' 293' ' ' GLU . 27.5 mt-30 -48.02 -44.12 30.67 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.323 -0.861 . . . . 0.0 109.563 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -51.02 -64.35 0.84 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.224 -0.922 . . . . 0.0 109.633 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.16 -25.78 61.91 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.248 -0.907 . . . . 0.0 109.512 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 293' ' ' GLU . . . . . 0.454 ' HB2' ' HA ' ' B' ' 290' ' ' GLN . 17.8 mt-10 -70.16 -75.43 0.12 Allowed 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.249 -0.907 . . . . 0.0 109.571 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 294' ' ' LEU . . . . . . . . . . . . . 1.2 mt -52.36 -45.91 65.92 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.345 -0.847 . . . . 0.0 109.771 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -48.12 -58.93 3.82 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.131 -0.981 . . . . 0.0 109.537 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.78 -48.86 40.76 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.23 -0.919 . . . . 0.0 109.611 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 6.5 m -55.97 -53.79 52.64 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.214 -0.929 . . . . 0.0 109.457 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 298' ' ' ALA . . . . . 0.98 ' HB2' ' HB2' ' A' ' 298' ' ' ALA . . . -57.56 -26.25 61.15 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.165 -0.959 . . . . 0.0 109.494 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -71.0 -50.17 37.18 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.331 -0.856 . . . . 0.0 109.595 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 300' ' ' MET . . . . . 0.448 ' O ' ' HG2' ' B' ' 304' ' ' GLN . 40.9 ttm -64.65 -52.5 56.98 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.203 -0.936 . . . . 0.0 109.674 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 70.9 mt -47.31 -56.75 6.22 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.349 -0.844 . . . . 0.0 109.708 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -37.93 64.63 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.212 -0.93 . . . . 0.0 109.687 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 303' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' B' ' 307' ' ' GLN . 1.7 mm-40 -61.79 -42.73 99.38 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.212 -0.93 . . . . 0.0 109.717 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 304' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' B' ' 300' ' ' MET . 33.4 mm-40 -65.2 -60.54 2.89 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.112 -0.992 . . . . 0.0 109.184 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 305' ' ' VAL . . . . . 0.823 HG22 HG22 ' A' ' 305' ' ' VAL . 4.5 t -53.28 -25.44 10.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 O-C-N 121.285 -0.884 . . . . 0.0 109.388 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 306' ' ' ALA . . . . . 0.481 ' O ' ' CG ' ' B' ' 310' ' ' GLN . . . -74.38 -46.02 43.07 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.239 -0.913 . . . . 0.0 109.572 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 307' ' ' GLN . . . . . 0.425 ' HG2' ' HA ' ' B' ' 304' ' ' GLN . 3.2 pt20 -76.2 -17.94 59.3 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.251 -0.906 . . . . 0.0 109.392 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 308' ' ' LEU . . . . . 0.471 ' O ' HG23 ' B' ' 312' ' ' VAL . 0.3 OUTLIER -84.94 -49.7 8.12 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.221 -0.924 . . . . 0.0 109.257 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 309' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -70.37 -45.29 66.33 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.38 -0.825 . . . . 0.0 109.304 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 310' ' ' GLN . . . . . 0.481 ' CG ' ' O ' ' B' ' 306' ' ' ALA . 9.1 mm100 -54.02 -40.93 67.48 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.145 -0.972 . . . . 0.0 109.25 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 311' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -60.26 -36.56 78.07 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.256 -0.902 . . . . 0.0 109.583 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 312' ' ' VAL . . . . . 0.471 HG23 ' O ' ' B' ' 308' ' ' LEU . 18.3 t -77.6 -46.77 27.06 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 O-C-N 121.297 -0.877 . . . . 0.0 109.61 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 313' ' ' MET . . . . . 0.454 ' O ' ' O ' ' B' ' 314' ' ' ASN . 0.5 OUTLIER -80.89 125.48 30.16 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.222 -0.924 . . . . 0.0 109.582 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 314' ' ' ASN . . . . . 0.454 ' O ' ' O ' ' B' ' 313' ' ' MET . 1.6 t-20 56.43 165.25 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.247 -0.908 . . . . 0.0 109.411 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 315' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.306 -1.313 0 CA-C-O 118.041 -0.98 . . . . 0.0 109.408 179.895 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.762 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 273' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.26 130.39 55.41 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.162 -0.961 . . . . 0.0 109.504 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 274' ' ' GLY . . . . . . . . . . . . . . . 179.47 117.13 0.53 Allowed Glycine 0 C--N 1.306 -1.128 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . 148.03 -49.05 0.61 Allowed Glycine 0 C--N 1.305 -1.17 0 N-CA-C 109.629 -1.389 . . . . 0.0 109.629 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -33.86 39.69 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.346 -1.09 . . . . 0.0 109.405 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 277' ' ' ILE . . . . . . . . . . . . . 63.2 mt -56.77 -54.48 28.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.322 -0.861 . . . . 0.0 109.665 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . -49.11 -45.61 43.66 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.318 -0.864 . . . . 0.0 109.693 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -62.81 -50.01 72.69 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.228 -0.92 . . . . 0.0 109.711 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 280' ' ' LEU . . . . . 0.664 HD13 HD13 ' B' ' 280' ' ' LEU . 5.4 mt -57.47 -58.54 7.83 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.25 -0.906 . . . . 0.0 109.6 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.4 -42.93 43.83 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.275 -0.891 . . . . 0.0 109.603 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -59.06 -35.61 73.64 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.257 -0.902 . . . . 0.0 109.397 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -74.45 -48.59 26.55 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.32 -0.863 . . . . 0.0 109.471 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 284' ' ' VAL . . . . . . . . . . . . . 82.0 t -55.26 -33.25 30.3 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 O-C-N 121.327 -0.858 . . . . 0.0 109.455 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -73.39 -53.29 11.08 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.249 -0.907 . . . . 0.0 109.318 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 286' ' ' THR . . . . . 0.521 ' O ' ' HB3' ' A' ' 289' ' ' ALA . 91.6 m -51.43 -39.72 57.92 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.208 -0.932 . . . . 0.0 109.126 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 287' ' ' LEU . . . . . 0.51 ' CB ' HD13 ' B' ' 287' ' ' LEU . 9.7 mt -60.64 -60.75 3.31 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.314 -0.866 . . . . 0.0 109.262 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 288' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 287' ' ' LEU . 0.0 OUTLIER -44.87 -29.33 0.78 Allowed 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.466 -0.771 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 289' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 286' ' ' THR . . . -67.81 -59.52 3.24 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.17 -0.957 . . . . 0.0 109.331 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 290' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -50.96 -36.65 39.97 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.41 -0.806 . . . . 0.0 109.552 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -60.72 -53.09 61.6 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.08 -1.012 . . . . 0.0 109.204 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -29.1 68.93 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.262 -0.899 . . . . 0.0 109.235 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -72.43 -70.61 0.33 Allowed 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.235 -0.916 . . . . 0.0 109.593 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 294' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' B' ' 295' ' ' ALA . 0.3 OUTLIER -51.69 -27.23 11.08 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.254 -0.904 . . . . 0.0 109.549 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 295' ' ' ALA . . . . . 0.474 ' HA ' HD22 ' B' ' 294' ' ' LEU . . . -64.54 -54.84 25.86 Favored 'General case' 0 C--N 1.305 -1.326 0 O-C-N 121.135 -0.978 . . . . 0.0 109.394 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -41.04 93.92 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.292 -0.88 . . . . 0.0 109.475 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 297' ' ' THR . . . . . 0.461 ' O ' ' HB3' ' A' ' 300' ' ' MET . 23.0 m -57.23 -51.65 68.49 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.16 -0.963 . . . . 0.0 109.569 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 298' ' ' ALA . . . . . . . . . . . . . . . -57.89 -58.27 9.13 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.2 -0.938 . . . . 0.0 109.417 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -46.26 -32.65 3.2 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.244 -0.91 . . . . 0.0 109.325 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 300' ' ' MET . . . . . 0.461 ' HB3' ' O ' ' A' ' 297' ' ' THR . 1.7 ttp -66.64 -59.37 3.66 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.164 -0.96 . . . . 0.0 109.293 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.59 -16.8 51.47 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.295 -0.878 . . . . 0.0 109.448 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 302' ' ' ARG . . . . . 0.442 ' NH1' ' HG2' ' A' ' 302' ' ' ARG . 0.0 OUTLIER -74.9 -48.55 24.16 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.352 -0.842 . . . . 0.0 109.542 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 303' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 300' ' ' MET . 5.1 pt-20 -64.52 -37.15 86.53 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.208 -0.933 . . . . 0.0 109.53 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 304' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 307' ' ' GLN . 0.1 OUTLIER -64.0 -61.68 2.12 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.108 -0.995 . . . . 0.0 109.152 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 305' ' ' VAL . . . . . 0.472 HG13 ' HE3' ' A' ' 309' ' ' LYS . 39.6 t -46.51 -35.63 2.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.303 -0.873 . . . . 0.0 109.168 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 306' ' ' ALA . . . . . 0.48 ' O ' ' HG2' ' A' ' 310' ' ' GLN . . . -66.34 -34.84 78.88 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.29 -0.881 . . . . 0.0 109.226 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 307' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 304' ' ' GLN . 2.9 mt-30 -76.29 -53.3 8.42 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.255 -0.903 . . . . 0.0 109.261 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.668 ' HB3' HD22 ' B' ' 308' ' ' LEU . 3.9 mt -53.41 -31.42 45.01 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.391 -0.818 . . . . 0.0 109.452 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 309' ' ' LYS . . . . . 0.472 ' HE3' HG13 ' A' ' 305' ' ' VAL . 0.1 OUTLIER -83.8 -57.79 3.07 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.239 -0.913 . . . . 0.0 109.368 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 310' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 306' ' ' ALA . 28.9 mm100 -46.7 -44.76 18.99 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.121 -0.987 . . . . 0.0 109.092 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 311' ' ' LYS . . . . . 0.492 ' C ' ' CD ' ' A' ' 311' ' ' LYS . 0.1 OUTLIER -49.6 -46.4 49.14 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.367 -0.833 . . . . 0.0 109.184 179.772 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 312' ' ' VAL . . . . . . . . . . . . . 56.2 t -64.58 -39.98 87.46 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 O-C-N 121.29 -0.881 . . . . 0.0 109.26 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 313' ' ' MET . . . . . . . . . . . . . 2.9 tpt -86.1 84.2 7.56 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.311 -0.868 . . . . 0.0 109.441 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 314' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -147.59 91.32 1.95 Allowed 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.178 -0.951 . . . . 0.0 109.447 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 315' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.306 -1.303 0 CA-C-O 117.941 -1.028 . . . . 0.0 109.485 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.68 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 273' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.16 130.16 55.39 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.183 -0.948 . . . . 0.0 109.561 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 179.79 117.24 0.54 Allowed Glycine 0 C--N 1.305 -1.152 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . 148.23 -49.69 0.59 Allowed Glycine 0 C--N 1.305 -1.185 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -34.42 43.85 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.201 -1.176 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 277' ' ' ILE . . . . . 0.401 HD13 HG21 ' B' ' 277' ' ' ILE . 64.2 mt -56.41 -54.22 30.95 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.361 -0.837 . . . . 0.0 109.577 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 278' ' ' ALA . . . . . . . . . . . . . . . -49.22 -45.86 45.08 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.07 -1.019 . . . . 0.0 109.567 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -62.47 -50.38 71.69 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.269 -0.894 . . . . 0.0 109.716 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 280' ' ' LEU . . . . . 0.664 HD13 HD13 ' A' ' 280' ' ' LEU . 5.4 mt -57.12 -58.83 6.46 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.192 -0.942 . . . . 0.0 109.571 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.23 -43.22 42.4 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.223 -0.923 . . . . 0.0 109.597 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -58.91 -35.3 72.84 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.221 -0.925 . . . . 0.0 109.386 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -74.67 -48.72 24.54 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.297 -0.877 . . . . 0.0 109.574 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 284' ' ' VAL . . . . . . . . . . . . . 78.7 t -55.14 -33.12 29.17 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 O-C-N 121.315 -0.865 . . . . 0.0 109.398 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -73.72 -53.47 10.27 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.2 -0.938 . . . . 0.0 109.283 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 286' ' ' THR . . . . . 0.516 ' O ' ' HB3' ' B' ' 289' ' ' ALA . 91.5 m -51.14 -39.53 56.48 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.115 -0.991 . . . . 0.0 109.068 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 287' ' ' LEU . . . . . 0.51 HD13 ' CB ' ' A' ' 287' ' ' LEU . 9.5 mt -60.86 -61.01 2.9 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.431 -0.793 . . . . 0.0 109.201 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 288' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' B' ' 287' ' ' LEU . 0.0 OUTLIER -44.69 -29.36 0.75 Allowed 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.382 -0.824 . . . . 0.0 109.377 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 289' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' B' ' 286' ' ' THR . . . -67.57 -59.69 3.15 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.26 -0.9 . . . . 0.0 109.167 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 290' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -51.33 -36.96 45.22 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.416 -0.803 . . . . 0.0 109.315 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 291' ' ' ASN . . . . . 0.406 ' O ' ' HB2' ' B' ' 295' ' ' ALA . 3.7 m-20 -59.61 -51.56 69.31 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.22 -0.925 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -28.74 70.23 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.271 -0.893 . . . . 0.0 109.34 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -72.23 -70.59 0.33 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.24 -0.912 . . . . 0.0 109.445 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 294' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' A' ' 295' ' ' ALA . 0.3 OUTLIER -51.7 -27.14 10.83 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.265 -0.897 . . . . 0.0 109.628 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 295' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' B' ' 291' ' ' ASN . . . -64.56 -53.92 40.23 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.135 -0.978 . . . . 0.0 109.541 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.6 -40.44 94.8 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.18 -0.95 . . . . 0.0 109.604 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 297' ' ' THR . . . . . 0.456 ' O ' ' HB3' ' B' ' 300' ' ' MET . 21.8 m -57.86 -51.9 67.68 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.156 -0.965 . . . . 0.0 109.58 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 298' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' B' ' 299' ' ' ASN . . . -57.31 -58.32 8.78 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.343 -0.848 . . . . 0.0 109.513 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 299' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' B' ' 298' ' ' ALA . 1.1 m-20 -46.21 -33.05 3.37 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.209 -0.932 . . . . 0.0 109.353 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 300' ' ' MET . . . . . 0.456 ' HB3' ' O ' ' B' ' 297' ' ' THR . 1.8 ttp -66.33 -58.98 4.17 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.281 -0.887 . . . . 0.0 109.365 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 301' ' ' LEU . . . . . 0.416 ' HA ' ' HG3' ' B' ' 304' ' ' GLN . 74.3 mt -61.75 -17.28 55.3 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.264 -0.898 . . . . 0.0 109.441 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 302' ' ' ARG . . . . . 0.436 ' NH1' ' HG2' ' B' ' 302' ' ' ARG . 0.0 OUTLIER -74.39 -48.67 26.39 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.221 -0.924 . . . . 0.0 109.544 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 303' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' B' ' 300' ' ' MET . 5.3 pt-20 -64.31 -37.07 86.21 Favored 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.311 -0.868 . . . . 0.0 109.753 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 304' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' B' ' 307' ' ' GLN . 0.1 OUTLIER -64.16 -61.17 2.42 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.186 -0.946 . . . . 0.0 109.105 179.84 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 305' ' ' VAL . . . . . 0.455 HG13 ' HE3' ' B' ' 309' ' ' LYS . 39.0 t -47.27 -34.78 3.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.439 -0.788 . . . . 0.0 109.266 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 306' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' B' ' 310' ' ' GLN . . . -67.33 -34.01 76.46 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.292 -0.88 . . . . 0.0 109.293 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 307' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' B' ' 304' ' ' GLN . 2.9 mt-30 -77.02 -53.08 8.26 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.256 -0.903 . . . . 0.0 109.304 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 308' ' ' LEU . . . . . 0.668 HD22 ' HB3' ' A' ' 308' ' ' LEU . 3.9 mt -53.35 -31.38 44.22 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.399 -0.813 . . . . 0.0 109.433 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 309' ' ' LYS . . . . . 0.455 ' HE3' HG13 ' B' ' 305' ' ' VAL . 0.1 OUTLIER -83.7 -58.23 2.89 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.244 -0.91 . . . . 0.0 109.391 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 310' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' B' ' 306' ' ' ALA . 28.8 mm100 -46.42 -44.38 17.18 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.09 -1.006 . . . . 0.0 109.139 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 311' ' ' LYS . . . . . 0.49 ' CD ' ' C ' ' B' ' 311' ' ' LYS . 0.1 OUTLIER -50.09 -46.23 53.29 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.287 -0.883 . . . . 0.0 109.283 179.735 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 312' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.74 -40.05 87.75 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 O-C-N 121.281 -0.887 . . . . 0.0 109.212 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 2.9 tpt -86.11 84.03 7.6 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.344 -0.848 . . . . 0.0 109.343 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 314' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -147.49 91.03 1.92 Allowed 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.187 -0.945 . . . . 0.0 109.582 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 315' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.308 -1.211 0 CA-C-O 117.933 -1.032 . . . . 0.0 109.557 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.753 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 273' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -167.91 -40.48 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.312 -0.868 . . . . 0.0 109.369 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 274' ' ' GLY . . . . . . . . . . . . . . . -164.18 -141.36 3.11 Favored Glycine 0 C--N 1.304 -1.198 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . -96.84 -27.6 9.45 Favored Glycine 0 C--N 1.303 -1.259 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 276' ' ' ARG . . . . . 0.445 ' O ' HD12 ' A' ' 280' ' ' LEU . 0.6 OUTLIER -62.88 -33.17 74.73 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.248 -1.148 . . . . 0.0 109.409 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 277' ' ' ILE . . . . . 0.663 ' N ' HD12 ' A' ' 277' ' ' ILE . 2.3 mp -71.37 -36.88 62.95 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 O-C-N 121.28 -0.887 . . . . 0.0 108.988 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . -55.56 -59.52 4.71 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.292 -0.88 . . . . 0.0 108.856 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -46.99 80.54 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.298 -0.876 . . . . 0.0 109.177 179.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 280' ' ' LEU . . . . . 0.74 ' O ' HG23 ' A' ' 284' ' ' VAL . 0.2 OUTLIER -50.22 -44.82 53.43 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.364 -0.835 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.43 -33.69 76.55 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.304 -0.872 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.53 -38.91 77.7 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.28 -0.887 . . . . 0.0 108.701 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -65.95 -35.99 82.11 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.468 -0.77 . . . . 0.0 108.924 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 284' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 280' ' ' LEU . 58.4 t -61.34 -54.56 33.45 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.444 -0.785 . . . . 0.0 109.008 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -43.99 73.57 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.26 -0.9 . . . . 0.0 109.136 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . 39.9 m -56.01 -45.1 79.19 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.266 -0.896 . . . . 0.0 109.022 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 287' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 288' ' ' LYS . 4.4 mt -59.27 -53.92 52.78 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.378 -0.826 . . . . 0.0 109.045 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 288' ' ' LYS . . . . . 0.415 ' HE2' HG12 ' A' ' 284' ' ' VAL . 0.0 OUTLIER -47.49 -43.55 24.59 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.332 -0.855 . . . . 0.0 109.21 179.741 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 289' ' ' ALA . . . . . . . . . . . . . . . -54.04 -61.35 2.36 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.162 -0.961 . . . . 0.0 109.189 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 290' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -48.18 -36.82 14.35 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.32 -0.863 . . . . 0.0 109.377 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -60.07 -45.26 93.49 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.227 -0.921 . . . . 0.0 109.16 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.2 -29.93 70.29 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.348 -0.845 . . . . 0.0 108.919 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -70.61 -50.78 33.41 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.321 -0.862 . . . . 0.0 109.288 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 294' ' ' LEU . . . . . 0.499 ' HB3' ' HB3' ' B' ' 294' ' ' LEU . 0.3 OUTLIER -64.68 -39.19 93.25 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.21 -0.932 . . . . 0.0 109.376 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -63.06 -47.06 84.58 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.352 -0.843 . . . . 0.0 109.422 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 2.2 t -63.95 -48.78 75.14 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.301 -0.874 . . . . 0.0 109.51 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 58.1 m -57.13 -52.92 63.36 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.334 -0.854 . . . . 0.0 109.603 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 298' ' ' ALA . . . . . . . . . . . . . . . -49.86 -54.05 21.9 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.19 -0.944 . . . . 0.0 109.497 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -53.73 -36.85 62.74 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.241 -0.912 . . . . 0.0 109.51 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 300' ' ' MET . . . . . . . . . . . . . 1.1 mtp -60.85 -42.35 97.65 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.291 -0.881 . . . . 0.0 109.536 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.904 ' O ' HG23 ' A' ' 305' ' ' VAL . 38.4 mt -69.49 -23.63 63.66 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.292 -0.88 . . . . 0.0 109.632 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -51.34 9.04 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.194 -0.941 . . . . 0.0 109.804 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -60.94 -31.04 70.6 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.095 -1.003 . . . . 0.0 109.726 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 304' ' ' GLN . . . . . 0.527 ' HG3' ' N ' ' A' ' 305' ' ' VAL . 3.6 pt20 -77.95 -40.77 38.43 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.217 -0.927 . . . . 0.0 109.668 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 305' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 301' ' ' LEU . 58.8 t -59.11 -49.6 82.74 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 O-C-N 121.107 -0.996 . . . . 0.0 109.227 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 306' ' ' ALA . . . . . 0.525 ' O ' ' CG ' ' A' ' 310' ' ' GLN . . . -63.04 -39.21 94.06 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.275 -0.891 . . . . 0.0 108.936 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 307' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -66.3 -27.39 67.88 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.364 -0.835 . . . . 0.0 109.048 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 309' ' ' LYS . 1.2 mt -80.26 -58.82 2.96 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.306 -0.871 . . . . 0.0 109.229 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 309' ' ' LYS . . . . . 0.511 ' HE3' ' CG1' ' A' ' 305' ' ' VAL . 0.0 OUTLIER -47.88 -41.02 23.28 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.266 -0.896 . . . . 0.0 109.398 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 310' ' ' GLN . . . . . 0.525 ' CG ' ' O ' ' A' ' 306' ' ' ALA . 7.6 mm-40 -55.88 -55.09 36.78 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.295 -0.878 . . . . 0.0 109.496 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 311' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 311' ' ' LYS . 2.4 ttmm -52.23 -25.42 9.22 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.28 -0.887 . . . . 0.0 109.384 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 312' ' ' VAL . . . . . . . . . . . . . 93.8 t -88.2 -17.27 8.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 O-C-N 121.319 -0.863 . . . . 0.0 109.281 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 313' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.1 134.32 41.35 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.34 -0.85 . . . . 0.0 109.224 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 314' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -138.72 -84.02 0.28 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.145 -0.972 . . . . 0.0 109.675 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 315' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.307 -1.254 0 CA-C-O 117.959 -1.02 . . . . 0.0 109.45 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.781 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 273' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -167.99 -40.48 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.224 -0.922 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -164.45 -141.2 3.06 Favored Glycine 0 C--N 1.305 -1.152 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . -96.93 -27.47 9.48 Favored Glycine 0 C--N 1.306 -1.119 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 276' ' ' ARG . . . . . 0.451 ' O ' HD12 ' B' ' 280' ' ' LEU . 0.6 OUTLIER -62.96 -32.83 74.24 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.221 -1.164 . . . . 0.0 109.348 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 277' ' ' ILE . . . . . 0.66 ' N ' HD12 ' B' ' 277' ' ' ILE . 2.3 mp -71.66 -36.53 59.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.304 -0.873 . . . . 0.0 108.979 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 278' ' ' ALA . . . . . . . . . . . . . . . -55.6 -59.53 4.71 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.356 -0.84 . . . . 0.0 108.835 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -47.19 81.26 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.253 -0.904 . . . . 0.0 109.025 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 280' ' ' LEU . . . . . 0.719 ' O ' HG23 ' B' ' 284' ' ' VAL . 0.2 OUTLIER -49.96 -45.15 51.11 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.359 -0.838 . . . . 0.0 109.363 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.0 -33.62 76.49 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.254 -0.904 . . . . 0.0 109.231 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.63 -39.23 77.29 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.251 -0.906 . . . . 0.0 108.69 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -65.87 -35.55 80.95 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.415 -0.803 . . . . 0.0 108.909 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 284' ' ' VAL . . . . . 0.719 HG23 ' O ' ' B' ' 280' ' ' LEU . 58.3 t -61.8 -54.36 35.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.389 -0.819 . . . . 0.0 109.023 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -44.13 73.64 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.22 -0.925 . . . . 0.0 109.196 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 286' ' ' THR . . . . . . . . . . . . . 42.4 m -55.82 -44.92 78.38 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.377 -0.827 . . . . 0.0 108.988 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 287' ' ' LEU . . . . . . . . . . . . . 4.3 mt -59.42 -53.53 57.15 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.333 -0.854 . . . . 0.0 109.013 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 288' ' ' LYS . . . . . 0.411 ' HE2' HG12 ' B' ' 284' ' ' VAL . 0.0 OUTLIER -48.28 -42.54 31.08 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.385 -0.822 . . . . 0.0 109.149 179.785 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 289' ' ' ALA . . . . . . . . . . . . . . . -54.77 -61.32 2.38 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.294 -0.879 . . . . 0.0 109.183 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 290' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -48.28 -37.96 17.62 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.357 -0.839 . . . . 0.0 109.43 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.84 -46.46 87.66 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.168 -0.958 . . . . 0.0 109.09 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 1.1 m -64.9 -30.28 71.27 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.282 -0.886 . . . . 0.0 109.036 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -70.44 -50.46 38.07 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.372 -0.83 . . . . 0.0 109.248 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 294' ' ' LEU . . . . . 0.499 ' HB3' ' HB3' ' A' ' 294' ' ' LEU . 0.3 OUTLIER -64.95 -38.7 91.83 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.429 -0.794 . . . . 0.0 109.421 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -63.84 -46.33 85.52 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.288 -0.883 . . . . 0.0 109.501 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 2.1 t -64.42 -48.07 76.75 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.322 -0.861 . . . . 0.0 109.557 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 53.6 m -57.86 -52.62 64.74 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.202 -0.936 . . . . 0.0 109.674 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -50.05 -53.95 23.52 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.24 -0.913 . . . . 0.0 109.56 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -53.84 -37.24 63.42 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.199 -0.938 . . . . 0.0 109.52 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.47 -42.46 96.3 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.261 -0.9 . . . . 0.0 109.38 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 301' ' ' LEU . . . . . 0.886 ' O ' HG23 ' B' ' 305' ' ' VAL . 40.4 mt -69.47 -23.71 63.69 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.26 -0.9 . . . . 0.0 109.719 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.15 -51.46 8.95 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.257 -0.902 . . . . 0.0 109.884 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -60.57 -31.2 70.34 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.115 -0.991 . . . . 0.0 109.835 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 304' ' ' GLN . . . . . 0.53 ' HG3' ' N ' ' B' ' 305' ' ' VAL . 3.6 pt20 -77.96 -41.06 37.39 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.097 -1.002 . . . . 0.0 109.588 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 305' ' ' VAL . . . . . 0.886 HG23 ' O ' ' B' ' 301' ' ' LEU . 61.1 t -58.62 -49.9 80.93 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.147 -0.971 . . . . 0.0 109.218 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 306' ' ' ALA . . . . . 0.517 ' O ' ' CG ' ' B' ' 310' ' ' GLN . . . -63.0 -39.3 94.35 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.243 -0.91 . . . . 0.0 109.13 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 307' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -66.02 -27.06 67.83 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.35 -0.844 . . . . 0.0 109.026 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 308' ' ' LEU . . . . . . . . . . . . . 1.3 mt -80.78 -58.75 2.95 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.392 -0.818 . . . . 0.0 109.238 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 309' ' ' LYS . . . . . 0.517 ' HE3' ' CG1' ' B' ' 305' ' ' VAL . 0.0 OUTLIER -47.63 -41.28 21.75 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.35 -0.844 . . . . 0.0 109.309 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 310' ' ' GLN . . . . . 0.517 ' CG ' ' O ' ' B' ' 306' ' ' ALA . 7.6 mm-40 -55.94 -54.93 38.82 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.331 -0.856 . . . . 0.0 109.423 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 311' ' ' LYS . . . . . 0.408 ' O ' ' HG2' ' B' ' 311' ' ' LYS . 2.3 ttmm -52.3 -25.08 8.6 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.251 -0.906 . . . . 0.0 109.448 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 312' ' ' VAL . . . . . . . . . . . . . 91.5 t -88.49 -17.35 8.45 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 121.187 -0.946 . . . . 0.0 109.334 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 313' ' ' MET . . . . . 0.405 ' N ' ' O ' ' B' ' 310' ' ' GLN . 0.0 OUTLIER -75.07 134.27 41.4 Favored 'General case' 0 C--N 1.307 -1.275 0 O-C-N 121.347 -0.846 . . . . 0.0 109.15 179.867 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 314' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -138.75 -83.11 0.29 Allowed 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.161 -0.962 . . . . 0.0 109.659 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 315' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.308 -1.204 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.402 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.707 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 273' ' ' CYS . . . . . . . . . . . . . 25.8 p -87.4 155.14 20.16 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.321 -0.862 . . . . 0.0 109.536 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 274' ' ' GLY . . . . . . . . . . . . . . . 119.79 102.34 1.95 Allowed Glycine 0 C--N 1.306 -1.125 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . 101.28 -33.07 6.76 Favored Glycine 0 C--N 1.306 -1.11 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.77 -24.12 26.99 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.175 -1.191 . . . . 0.0 109.613 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 277' ' ' ILE . . . . . . . . . . . . . 2.6 mt -65.83 -30.37 49.83 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 O-C-N 121.267 -0.896 . . . . 0.0 109.361 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . -67.51 -34.24 76.72 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.161 -0.962 . . . . 0.0 109.23 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -70.92 -54.08 12.7 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.252 -0.905 . . . . 0.0 109.384 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 1.9 mt -52.37 -40.85 62.54 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.251 -0.905 . . . . 0.0 109.44 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.15 -48.06 83.33 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.287 -0.883 . . . . 0.0 109.355 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -62.5 -19.27 63.41 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.34 -0.85 . . . . 0.0 109.178 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.24 -43.97 26.85 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.279 -0.888 . . . . 0.0 109.359 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 284' ' ' VAL . . . . . . . . . . . . . 82.7 t -68.82 -26.06 31.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 121.201 -0.937 . . . . 0.0 108.877 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -74.61 -62.34 1.57 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.457 -0.777 . . . . 0.0 109.054 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 286' ' ' THR . . . . . 0.529 ' O ' ' HB3' ' A' ' 289' ' ' ALA . 44.0 m -50.45 -36.38 33.11 Favored 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.301 -0.874 . . . . 0.0 109.065 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 287' ' ' LEU . . . . . 0.719 HD13 ' HB3' ' B' ' 287' ' ' LEU . 5.0 mt -61.95 -50.88 70.35 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.506 -0.746 . . . . 0.0 109.106 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -21.98 48.51 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.32 -0.863 . . . . 0.0 108.89 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 289' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 286' ' ' THR . . . -71.02 -68.32 0.45 Allowed 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.395 -0.816 . . . . 0.0 109.556 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 290' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -59.82 -15.79 23.45 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.402 -0.811 . . . . 0.0 109.818 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 291' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 287' ' ' LEU . 0.6 OUTLIER -73.62 -53.2 11.03 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.203 -0.936 . . . . 0.0 109.462 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 1.5 t -67.0 -26.38 66.76 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.189 -0.944 . . . . 0.0 109.311 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.14 -60.91 2.22 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.311 -0.868 . . . . 0.0 109.606 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 294' ' ' LEU . . . . . 0.504 HD22 ' HA ' ' B' ' 295' ' ' ALA . 12.9 mt -54.08 -39.42 66.31 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.218 -0.926 . . . . 0.0 109.483 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 295' ' ' ALA . . . . . 0.478 ' HA ' HD22 ' B' ' 294' ' ' LEU . . . -57.82 -47.37 82.84 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.245 -0.909 . . . . 0.0 109.527 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 24.6 t -59.04 -59.3 5.69 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.289 -0.882 . . . . 0.0 109.69 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 45.4 m -51.48 -25.09 5.88 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.167 -0.958 . . . . 0.0 109.713 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 298' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 295' ' ' ALA . . . -70.3 -57.42 4.88 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.258 -0.901 . . . . 0.0 109.942 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 299' ' ' ASN . . . . . 0.497 ' OD1' ' N ' ' A' ' 300' ' ' MET . 29.9 p30 -63.17 -18.4 63.44 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.287 -0.883 . . . . 0.0 110.061 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 300' ' ' MET . . . . . 0.503 ' O ' ' HG2' ' A' ' 303' ' ' GLU . 1.1 mmt -79.28 -41.05 28.96 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.086 -1.009 . . . . 0.0 109.823 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.904 ' O ' HG23 ' A' ' 305' ' ' VAL . 69.2 mt -73.38 -29.66 62.77 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.037 -1.039 . . . . 0.0 109.507 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 302' ' ' ARG . . . . . 0.403 ' HB3' ' NH1' ' A' ' 302' ' ' ARG . 0.1 OUTLIER -74.42 -48.35 28.25 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.32 -0.863 . . . . 0.0 109.441 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 303' ' ' GLU . . . . . 0.526 ' HG3' ' N ' ' A' ' 304' ' ' GLN . 12.3 pt-20 -59.07 -39.93 83.64 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.231 -0.918 . . . . 0.0 109.632 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 304' ' ' GLN . . . . . 0.526 ' N ' ' HG3' ' A' ' 303' ' ' GLU . 4.2 pt20 -70.91 -31.26 67.84 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.212 -0.93 . . . . 0.0 109.676 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 305' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 301' ' ' LEU . 55.6 t -64.87 -40.76 90.16 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.29 0 O-C-N 121.065 -1.022 . . . . 0.0 109.135 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -68.12 -36.88 80.44 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.262 -0.899 . . . . 0.0 109.133 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 307' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -61.81 -37.87 86.03 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.19 -0.944 . . . . 0.0 109.101 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.851 ' O ' HG23 ' A' ' 312' ' ' VAL . 0.3 OUTLIER -64.71 -50.61 66.26 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.52 -0.737 . . . . 0.0 109.431 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -63.0 -18.73 63.63 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.253 -0.904 . . . . 0.0 109.409 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -65.81 -38.7 89.66 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.319 -0.863 . . . . 0.0 109.682 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 311' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -86.82 -24.04 25.13 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.098 -1.001 . . . . 0.0 109.554 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 312' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 308' ' ' LEU . 3.9 t -74.08 -18.82 17.26 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 O-C-N 121.159 -0.963 . . . . 0.0 109.53 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 313' ' ' MET . . . . . . . . . . . . . 3.4 ttp -65.41 101.84 0.62 Allowed 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.279 -0.888 . . . . 0.0 109.507 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 314' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -162.0 82.11 0.56 Allowed 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.308 -0.87 . . . . 0.0 109.341 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 315' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 . . . . . 0 C--N 1.307 -1.275 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.412 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.731 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 273' ' ' CYS . . . . . . . . . . . . . 24.7 p -87.22 155.39 20.11 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.276 -0.89 . . . . 0.0 109.473 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 119.57 102.68 1.99 Allowed Glycine 0 C--N 1.304 -1.212 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . 101.08 -33.27 6.58 Favored Glycine 0 C--N 1.305 -1.184 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.66 -23.61 27.4 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.156 -1.202 . . . . 0.0 109.667 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 277' ' ' ILE . . . . . . . . . . . . . 2.5 mt -66.36 -30.02 48.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 O-C-N 121.091 -1.005 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 278' ' ' ALA . . . . . . . . . . . . . . . -67.86 -34.09 76.01 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.267 -0.896 . . . . 0.0 109.29 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -70.7 -54.09 13.17 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.36 -0.838 . . . . 0.0 109.37 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 280' ' ' LEU . . . . . . . . . . . . . 2.0 mt -52.61 -40.93 63.22 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.267 -0.896 . . . . 0.0 109.339 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.13 -47.51 85.6 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.297 -0.877 . . . . 0.0 109.325 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -62.92 -19.27 64.07 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.354 -0.841 . . . . 0.0 109.222 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.36 -44.05 26.08 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.413 -0.805 . . . . 0.0 109.398 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 284' ' ' VAL . . . . . . . . . . . . . 82.3 t -68.64 -26.3 32.82 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 O-C-N 121.142 -0.974 . . . . 0.0 108.967 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -74.32 -62.38 1.54 Allowed 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.418 -0.801 . . . . 0.0 109.148 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 286' ' ' THR . . . . . 0.525 ' O ' ' HB3' ' B' ' 289' ' ' ALA . 37.6 m -50.64 -35.86 32.63 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.272 -0.893 . . . . 0.0 109.016 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 287' ' ' LEU . . . . . 0.719 ' HB3' HD13 ' A' ' 287' ' ' LEU . 5.0 mt -62.36 -50.25 72.34 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.282 -0.886 . . . . 0.0 109.085 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -21.46 56.1 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.355 -0.84 . . . . 0.0 108.879 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 289' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' B' ' 286' ' ' THR . . . -71.64 -69.29 0.39 Allowed 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.469 -0.77 . . . . 0.0 109.53 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 290' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -58.74 -16.26 15.88 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.369 -0.832 . . . . 0.0 109.397 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -71.72 -56.2 6.24 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.387 -0.821 . . . . 0.0 109.487 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 1.6 t -65.96 -25.92 67.34 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.289 -0.882 . . . . 0.0 109.573 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -67.13 -60.76 2.34 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.14 -0.975 . . . . 0.0 109.598 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 294' ' ' LEU . . . . . 0.478 HD22 ' HA ' ' A' ' 295' ' ' ALA . 12.7 mt -54.07 -39.32 66.19 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.27 -0.894 . . . . 0.0 109.631 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 295' ' ' ALA . . . . . 0.504 ' HA ' HD22 ' A' ' 294' ' ' LEU . . . -57.81 -47.44 82.59 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.11 -0.994 . . . . 0.0 109.588 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 28.1 t -58.81 -59.64 5.11 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.25 -0.906 . . . . 0.0 109.667 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 45.3 m -51.0 -25.59 4.92 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.258 -0.901 . . . . 0.0 109.745 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 298' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' B' ' 295' ' ' ALA . . . -69.98 -57.74 4.66 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.21 -0.931 . . . . 0.0 109.936 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 299' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' B' ' 300' ' ' MET . 30.2 p30 -62.59 -18.45 62.17 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.186 -0.946 . . . . 0.0 110.12 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 300' ' ' MET . . . . . 0.503 ' O ' ' HG2' ' B' ' 303' ' ' GLU . 1.2 mmt -79.59 -41.05 27.95 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.058 -1.026 . . . . 0.0 109.82 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 301' ' ' LEU . . . . . 0.897 ' O ' HG23 ' B' ' 305' ' ' VAL . 70.5 mt -73.13 -29.91 63.23 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.163 -0.96 . . . . 0.0 109.468 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.12 -48.8 27.12 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.223 -0.923 . . . . 0.0 109.573 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 303' ' ' GLU . . . . . 0.539 ' HG3' ' N ' ' B' ' 304' ' ' GLN . 12.4 pt-20 -58.55 -39.8 81.26 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.274 -0.891 . . . . 0.0 109.694 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 304' ' ' GLN . . . . . 0.539 ' N ' ' HG3' ' B' ' 303' ' ' GLU . 4.2 pt20 -71.08 -31.35 67.71 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.151 -0.968 . . . . 0.0 109.644 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 305' ' ' VAL . . . . . 0.897 HG23 ' O ' ' B' ' 301' ' ' LEU . 54.4 t -64.6 -40.97 90.89 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 O-C-N 121.101 -0.999 . . . . 0.0 109.031 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.19 80.7 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.319 -0.863 . . . . 0.0 109.185 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 307' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -61.28 -38.38 86.55 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.329 -0.857 . . . . 0.0 109.029 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 308' ' ' LEU . . . . . 0.864 ' O ' HG23 ' B' ' 312' ' ' VAL . 0.3 OUTLIER -64.3 -50.9 66.05 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.348 -0.845 . . . . 0.0 109.332 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 309' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -62.79 -18.33 62.56 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.21 -0.931 . . . . 0.0 109.425 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 310' ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -66.34 -38.45 87.67 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.186 -0.946 . . . . 0.0 109.731 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 311' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -87.08 -23.88 24.77 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.22 -0.925 . . . . 0.0 109.57 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 312' ' ' VAL . . . . . 0.864 HG23 ' O ' ' B' ' 308' ' ' LEU . 4.0 t -73.96 -19.07 17.43 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 O-C-N 121.221 -0.924 . . . . 0.0 109.64 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 3.4 ttp -65.32 101.62 0.58 Allowed 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.236 -0.915 . . . . 0.0 109.449 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 314' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -161.76 81.77 0.58 Allowed 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.234 -0.916 . . . . 0.0 109.323 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 315' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 . . . . . 0 C--N 1.306 -1.289 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.422 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 272' ' ' ACE . . . . . 0.431 ' O ' ' N ' ' A' ' 274' ' ' GLY . . . . . . . . 0 C--O 1.215 -0.744 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 273' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 272' ' ' ACE . 19.1 m 59.05 -89.76 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.22 -0.925 . . . . 0.0 109.417 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 274' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 272' ' ' ACE . . . 90.01 122.57 2.37 Favored Glycine 0 C--N 1.305 -1.144 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . 137.15 -63.3 0.58 Allowed Glycine 0 C--N 1.306 -1.138 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -15.5 54.68 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.171 -1.194 . . . . 0.0 109.446 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 277' ' ' ILE . . . . . . . . . . . . . 20.7 mt -78.41 -48.49 22.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 121.273 -0.892 . . . . 0.0 109.356 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . -48.26 -40.14 23.73 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.15 -0.969 . . . . 0.0 109.427 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -51.94 9.93 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.228 -0.92 . . . . 0.0 109.542 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 280' ' ' LEU . . . . . 0.501 HD12 ' HB3' ' B' ' 280' ' ' LEU . 1.6 mm? -47.81 -40.69 21.74 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.181 -0.949 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -71.95 -40.07 68.96 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.274 -0.891 . . . . 0.0 109.139 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.07 -38.15 64.99 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.224 -0.923 . . . . 0.0 108.96 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -58.07 4.23 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.341 -0.849 . . . . 0.0 109.025 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 284' ' ' VAL . . . . . 0.725 HG12 ' HE2' ' A' ' 288' ' ' LYS . 43.5 t -46.84 -28.5 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.401 -0.812 . . . . 0.0 109.059 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.18 -49.57 34.53 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.37 -0.831 . . . . 0.0 108.952 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -47.76 69.74 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.335 -0.853 . . . . 0.0 108.952 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 287' ' ' LEU . . . . . . . . . . . . . 4.0 mt -57.13 -46.87 82.31 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.26 -0.9 . . . . 0.0 109.39 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 288' ' ' LYS . . . . . 0.725 ' HE2' HG12 ' A' ' 284' ' ' VAL . 0.0 OUTLIER -50.27 -52.39 36.75 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.252 -0.905 . . . . 0.0 109.042 179.811 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 289' ' ' ALA . . . . . . . . . . . . . . . -50.14 -64.72 0.72 Allowed 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.337 -0.852 . . . . 0.0 109.264 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 290' ' ' GLN . . . . . 0.434 ' HA ' ' OE1' ' A' ' 293' ' ' GLU . 2.0 mt-30 -48.59 -36.08 14.89 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.285 -0.884 . . . . 0.0 109.296 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -59.16 -66.27 0.53 Allowed 'General case' 0 C--N 1.307 -1.264 0 O-C-N 121.29 -0.881 . . . . 0.0 109.325 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 12.8 p -49.9 -43.97 49.84 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.211 -0.931 . . . . 0.0 109.408 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 293' ' ' GLU . . . . . 0.434 ' OE1' ' HA ' ' A' ' 290' ' ' GLN . 15.0 mt-10 -54.46 -69.81 0.12 Allowed 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.347 -0.845 . . . . 0.0 109.376 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 294' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' B' ' 295' ' ' ALA . 2.9 mt -44.84 -55.11 5.68 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.345 -0.847 . . . . 0.0 109.682 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 295' ' ' ALA . . . . . 0.406 ' HA ' HD22 ' B' ' 294' ' ' LEU . . . -47.92 -39.67 19.71 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.201 -0.937 . . . . 0.0 109.838 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 6.1 m -62.49 -60.16 3.93 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.199 -0.938 . . . . 0.0 109.514 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 4.7 m -47.16 -44.5 21.94 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.186 -0.946 . . . . 0.0 109.439 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 298' ' ' ALA . . . . . . . . . . . . . . . -65.27 -36.67 84.82 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.144 -0.972 . . . . 0.0 109.396 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -60.44 -54.79 41.38 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.323 -0.861 . . . . 0.0 109.375 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 300' ' ' MET . . . . . 0.515 ' O ' ' N ' ' A' ' 303' ' ' GLU . 0.2 OUTLIER -57.45 -51.78 68.03 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.2 -0.937 . . . . 0.0 109.193 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.788 HD13 ' HB3' ' B' ' 301' ' ' LEU . 16.0 mt -46.57 -37.77 8.53 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.206 -0.934 . . . . 0.0 108.89 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -75.33 -24.36 57.37 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.361 -0.837 . . . . 0.0 109.504 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 303' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 300' ' ' MET . 5.3 tp10 -72.37 -45.14 61.12 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.241 -0.912 . . . . 0.0 109.151 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 304' ' ' GLN . . . . . 0.611 ' OE1' HD23 ' A' ' 301' ' ' LEU . 0.9 OUTLIER -73.91 -28.36 61.5 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.267 -0.896 . . . . 0.0 109.212 179.793 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 305' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 301' ' ' LEU . 51.4 t -73.74 -41.21 54.57 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 O-C-N 121.248 -0.908 . . . . 0.0 109.182 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.91 72.99 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.335 -0.853 . . . . 0.0 109.244 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 307' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 304' ' ' GLN . 0.0 OUTLIER -65.28 -29.95 70.77 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.192 -0.943 . . . . 0.0 109.067 179.762 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.451 ' N ' ' OE1' ' A' ' 307' ' ' GLN . 0.3 OUTLIER -61.65 -53.44 56.15 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.278 -0.889 . . . . 0.0 109.128 179.633 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -55.03 -53.16 59.35 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.429 -0.794 . . . . 0.0 109.182 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.92 -42.0 59.19 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.429 -0.794 . . . . 0.0 109.747 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 311' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -62.74 -47.23 84.46 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.108 -0.995 . . . . 0.0 109.752 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 312' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 314' ' ' ASN . 48.9 t -63.06 -67.29 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 O-C-N 121.12 -0.988 . . . . 0.0 109.461 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 313' ' ' MET . . . . . . . . . . . . . 6.6 ttm -68.31 71.5 0.18 Allowed 'General case' 0 C--N 1.307 -1.275 0 O-C-N 121.097 -1.002 . . . . 0.0 109.184 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 314' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 312' ' ' VAL . 12.0 t-20 -126.99 172.06 10.79 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.244 -0.91 . . . . 0.0 109.554 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 315' ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' ' 314' ' ' ASN . 57.8 m-85 . . . . . 0 C--N 1.306 -1.3 0 CA-C-O 118.052 -0.975 . . . . 0.0 109.478 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 272' ' ' ACE . . . . . 0.434 ' O ' ' N ' ' B' ' 274' ' ' GLY . . . . . . . . 0 C--O 1.215 -0.723 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 273' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' B' ' 272' ' ' ACE . 22.2 m 59.21 -89.39 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.293 -0.879 . . . . 0.0 109.379 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 274' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' B' ' 272' ' ' ACE . . . 90.08 123.41 2.53 Favored Glycine 0 C--O 1.215 -1.063 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . 136.15 -63.69 0.58 Allowed Glycine 0 C--N 1.305 -1.181 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.05 -15.76 55.17 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.291 -1.123 . . . . 0.0 109.513 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 277' ' ' ILE . . . . . . . . . . . . . 21.2 mt -78.34 -48.47 22.68 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.211 -0.93 . . . . 0.0 109.355 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 278' ' ' ALA . . . . . . . . . . . . . . . -48.41 -39.83 23.88 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.147 -0.971 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -51.56 10.45 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.183 -0.948 . . . . 0.0 109.42 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 280' ' ' LEU . . . . . 0.501 ' HB3' HD12 ' A' ' 280' ' ' LEU . 1.5 mm? -48.26 -40.63 25.3 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.186 -0.946 . . . . 0.0 109.374 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -71.85 -39.96 69.34 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.229 -0.92 . . . . 0.0 109.225 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.28 -38.26 65.67 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.262 -0.899 . . . . 0.0 108.929 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -58.08 4.28 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.414 -0.804 . . . . 0.0 109.047 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 284' ' ' VAL . . . . . 0.71 HG12 ' HE2' ' B' ' 288' ' ' LYS . 43.3 t -46.76 -28.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 O-C-N 121.348 -0.845 . . . . 0.0 109.12 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.07 -50.01 31.82 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.265 -0.897 . . . . 0.0 109.054 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 286' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -47.89 67.87 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.213 -0.929 . . . . 0.0 109.015 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 287' ' ' LEU . . . . . . . . . . . . . 4.0 mt -57.3 -46.8 82.8 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.388 -0.82 . . . . 0.0 109.294 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 288' ' ' LYS . . . . . 0.71 ' HE2' HG12 ' B' ' 284' ' ' VAL . 0.0 OUTLIER -50.16 -52.32 36.32 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.248 -0.908 . . . . 0.0 109.011 179.747 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 289' ' ' ALA . . . . . . . . . . . . . . . -50.36 -65.48 0.55 Allowed 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.338 -0.851 . . . . 0.0 109.294 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 290' ' ' GLN . . . . . 0.439 ' HA ' ' OE1' ' B' ' 293' ' ' GLU . 2.0 mt-30 -48.21 -35.72 12.4 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.29 -0.881 . . . . 0.0 109.284 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -59.94 -64.79 0.82 Allowed 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.351 -0.843 . . . . 0.0 109.358 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 12.3 p -51.35 -43.68 61.87 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.125 -0.985 . . . . 0.0 109.21 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 293' ' ' GLU . . . . . 0.439 ' OE1' ' HA ' ' B' ' 290' ' ' GLN . 15.0 mt-10 -54.48 -69.49 0.13 Allowed 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.303 -0.873 . . . . 0.0 109.417 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 294' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 295' ' ' ALA . 2.9 mt -44.93 -54.62 6.29 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.343 -0.848 . . . . 0.0 109.66 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 295' ' ' ALA . . . . . 0.438 ' HA ' HD22 ' A' ' 294' ' ' LEU . . . -48.16 -39.61 21.32 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.322 -0.861 . . . . 0.0 109.835 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 5.8 m -62.72 -60.1 3.97 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.085 -1.01 . . . . 0.0 109.58 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 4.3 m -47.25 -44.16 22.66 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.184 -0.947 . . . . 0.0 109.414 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.52 83.83 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.286 -0.884 . . . . 0.0 109.239 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -60.53 -55.27 35.49 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.242 -0.911 . . . . 0.0 109.354 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 300' ' ' MET . . . . . 0.514 ' O ' ' N ' ' B' ' 303' ' ' GLU . 0.2 OUTLIER -57.04 -51.58 68.7 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.214 -0.928 . . . . 0.0 109.164 179.796 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 301' ' ' LEU . . . . . 0.788 ' HB3' HD13 ' A' ' 301' ' ' LEU . 15.9 mt -46.56 -37.81 8.56 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.107 -0.996 . . . . 0.0 109.044 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -75.38 -24.04 57.17 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.302 -0.874 . . . . 0.0 109.448 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 303' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' B' ' 300' ' ' MET . 5.3 tp10 -72.66 -45.03 60.96 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.307 -0.87 . . . . 0.0 109.085 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 304' ' ' GLN . . . . . 0.609 ' OE1' HD23 ' B' ' 301' ' ' LEU . 0.9 OUTLIER -74.07 -28.17 61.26 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.326 -0.859 . . . . 0.0 109.243 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 305' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 301' ' ' LEU . 53.6 t -73.82 -41.41 53.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.249 -0.907 . . . . 0.0 109.174 179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -62.81 -49.94 72.95 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.348 -0.845 . . . . 0.0 109.227 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 307' ' ' GLN . . . . . 0.465 ' HG3' ' O ' ' B' ' 304' ' ' GLN . 0.0 OUTLIER -65.2 -30.01 70.87 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.209 -0.932 . . . . 0.0 109.096 179.679 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 308' ' ' LEU . . . . . 0.447 ' N ' ' OE1' ' B' ' 307' ' ' GLN . 0.3 OUTLIER -61.57 -53.87 50.6 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.324 -0.86 . . . . 0.0 109.003 179.715 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 309' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -54.66 -53.13 58.83 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.331 -0.855 . . . . 0.0 109.244 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 310' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.07 -42.09 60.35 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.339 -0.851 . . . . 0.0 109.811 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 311' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -62.56 -47.42 83.96 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.169 -0.957 . . . . 0.0 109.733 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 312' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' B' ' 314' ' ' ASN . 49.7 t -62.73 -67.52 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 O-C-N 121.197 -0.939 . . . . 0.0 109.543 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 6.2 ttm -68.03 71.59 0.16 Allowed 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.113 -0.992 . . . . 0.0 109.203 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 314' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' B' ' 312' ' ' VAL . 11.6 t-20 -127.06 171.94 10.93 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.188 -0.945 . . . . 0.0 109.638 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 315' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' B' ' 314' ' ' ASN . 58.1 m-85 . . . . . 0 C--N 1.306 -1.291 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.458 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.76 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 273' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -177.78 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.253 -0.904 . . . . 0.0 109.468 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 274' ' ' GLY . . . . . . . . . . . . . . . 176.01 102.18 0.15 Allowed Glycine 0 C--N 1.305 -1.176 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . 155.25 -63.17 0.34 Allowed Glycine 0 C--N 1.304 -1.225 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -93.72 -27.46 16.5 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.209 -1.171 . . . . 0.0 109.365 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 277' ' ' ILE . . . . . 0.757 HG22 HG22 ' B' ' 277' ' ' ILE . 2.1 pp -65.52 -49.59 77.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 O-C-N 121.352 -0.843 . . . . 0.0 109.958 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 278' ' ' ALA . . . . . 0.737 ' N ' HD12 ' A' ' 277' ' ' ILE . . . -62.78 -25.54 68.28 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.145 -0.972 . . . . 0.0 109.367 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 279' ' ' ARG . . . . . 0.423 ' HD3' ' HA ' ' A' ' 279' ' ' ARG . 15.0 mmt180 -70.35 -65.19 0.76 Allowed 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.191 -0.943 . . . . 0.0 109.176 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.38 -22.12 4.31 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.234 -0.916 . . . . 0.0 108.92 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 281' ' ' GLU . . . . . 0.437 ' HA ' ' OE1' ' A' ' 281' ' ' GLU . 4.5 mm-40 -68.16 -53.38 25.52 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.431 -0.793 . . . . 0.0 109.098 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -56.66 -33.23 66.15 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.155 -0.966 . . . . 0.0 108.813 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -65.58 -42.12 92.12 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.36 -0.838 . . . . 0.0 108.997 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 284' ' ' VAL . . . . . 0.889 HG22 HG22 ' B' ' 284' ' ' VAL . 53.3 t -61.51 -30.51 48.3 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 O-C-N 121.388 -0.82 . . . . 0.0 108.913 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -66.14 -54.71 22.14 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.255 -0.903 . . . . 0.0 109.386 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.58 -46.61 63.56 Favored 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.147 -0.971 . . . . 0.0 109.014 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 287' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.16 -46.94 65.68 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 121.218 -0.926 . . . . 0.0 108.847 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 288' ' ' LYS . . . . . 0.429 ' HD3' ' O ' ' A' ' 284' ' ' VAL . 1.5 mptp? -53.64 -42.33 67.7 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.401 -0.812 . . . . 0.0 109.066 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 289' ' ' ALA . . . . . . . . . . . . . . . -54.76 -58.07 9.0 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.282 -0.886 . . . . 0.0 109.597 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 290' ' ' GLN . . . . . 0.426 ' O ' ' HB2' ' A' ' 293' ' ' GLU . 34.6 mt-30 -50.14 -35.73 27.1 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.411 -0.806 . . . . 0.0 109.84 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -60.44 -49.36 77.87 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.138 -0.976 . . . . 0.0 109.163 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.12 -30.56 70.45 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.098 -1.001 . . . . 0.0 109.008 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 293' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 290' ' ' GLN . 12.4 mt-10 -61.27 -61.25 2.69 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.299 -0.876 . . . . 0.0 109.25 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.02 -28.04 62.14 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.324 -0.86 . . . . 0.0 109.494 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -61.24 -46.81 88.84 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.28 -0.887 . . . . 0.0 109.556 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -43.16 91.91 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.289 -0.882 . . . . 0.0 109.511 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 67.7 m -54.33 -42.01 69.7 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.188 -0.945 . . . . 0.0 109.719 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 298' ' ' ALA . . . . . . . . . . . . . . . -63.02 -55.25 27.28 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.294 -0.879 . . . . 0.0 109.678 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -57.3 -19.25 20.86 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.074 -1.016 . . . . 0.0 109.523 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 300' ' ' MET . . . . . 0.506 ' O ' ' CG ' ' A' ' 303' ' ' GLU . 0.0 OUTLIER -75.25 -61.85 1.76 Allowed 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.25 -0.906 . . . . 0.0 109.256 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 301' ' ' LEU . . . . . 0.581 HD23 ' OE1' ' A' ' 304' ' ' GLN . 4.7 mt -59.41 -19.33 46.34 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.235 -0.916 . . . . 0.0 109.198 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -79.02 -38.97 35.26 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.179 -0.951 . . . . 0.0 109.958 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 303' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 300' ' ' MET . 7.8 pt-20 -69.93 -32.39 70.64 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.18 -0.95 . . . . 0.0 109.487 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 304' ' ' GLN . . . . . 0.581 ' OE1' HD23 ' A' ' 301' ' ' LEU . 13.4 pt20 -75.82 -39.66 56.37 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.179 -0.951 . . . . 0.0 109.52 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 305' ' ' VAL . . . . . 0.547 ' N ' ' HG3' ' A' ' 304' ' ' GLN . 53.5 t -71.1 -26.82 27.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 O-C-N 121.205 -0.935 . . . . 0.0 109.357 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -71.81 -51.37 22.86 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.183 -0.948 . . . . 0.0 108.969 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 307' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 303' ' ' GLU . 2.6 pt20 -66.69 -22.35 66.08 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.376 -0.827 . . . . 0.0 109.099 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 304' ' ' GLN . 0.3 OUTLIER -73.39 -42.22 62.39 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.344 -0.848 . . . . 0.0 109.419 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -76.4 -19.37 58.19 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.233 -0.917 . . . . 0.0 109.352 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -64.09 -26.18 68.43 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.217 -0.927 . . . . 0.0 109.338 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 311' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.63 -19.61 48.79 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.231 -0.918 . . . . 0.0 109.279 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 312' ' ' VAL . . . . . . . . . . . . . 97.3 t -88.58 -23.84 6.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 121.281 -0.887 . . . . 0.0 109.377 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 313' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -27.38 27.38 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.245 -0.909 . . . . 0.0 109.483 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 314' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -84.32 -42.72 15.49 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.316 -0.865 . . . . 0.0 109.402 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 315' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--N 1.306 -1.318 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.462 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.761 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 273' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -178.11 0.04 OUTLIER 'General case' 0 C--N 1.307 -1.274 0 O-C-N 121.16 -0.963 . . . . 0.0 109.457 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 176.17 102.32 0.16 Allowed Glycine 0 C--N 1.304 -1.214 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . 155.33 -62.32 0.35 Allowed Glycine 0 C--N 1.305 -1.148 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -94.75 -27.38 15.83 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.36 -1.083 . . . . 0.0 109.372 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 277' ' ' ILE . . . . . 0.757 HG22 HG22 ' A' ' 277' ' ' ILE . 2.2 pp -65.62 -49.23 79.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 O-C-N 121.228 -0.92 . . . . 0.0 110.051 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 278' ' ' ALA . . . . . 0.734 ' N ' HD12 ' B' ' 277' ' ' ILE . . . -62.84 -25.84 68.47 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.071 -1.018 . . . . 0.0 109.215 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 279' ' ' ARG . . . . . 0.421 ' HD3' ' HA ' ' B' ' 279' ' ' ARG . 15.0 mmt180 -70.12 -65.51 0.71 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.227 -0.921 . . . . 0.0 109.136 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 280' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.02 -22.32 3.93 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.224 -0.922 . . . . 0.0 108.921 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 281' ' ' GLU . . . . . 0.435 ' HA ' ' OE1' ' B' ' 281' ' ' GLU . 4.4 mm-40 -68.01 -53.79 23.26 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.452 -0.78 . . . . 0.0 109.153 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -56.27 -33.13 65.19 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.194 -0.941 . . . . 0.0 108.877 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -65.69 -42.05 91.66 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.357 -0.84 . . . . 0.0 108.928 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 284' ' ' VAL . . . . . 0.889 HG22 HG22 ' A' ' 284' ' ' VAL . 54.7 t -61.42 -30.6 48.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.331 -0.855 . . . . 0.0 108.792 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -66.15 -55.45 16.31 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.472 -0.768 . . . . 0.0 109.272 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 286' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.85 -46.61 60.22 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.201 -0.937 . . . . 0.0 109.039 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 287' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.08 -46.95 65.39 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.368 -0.833 . . . . 0.0 108.76 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 288' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' B' ' 284' ' ' VAL . 1.5 mptp? -53.87 -42.35 68.5 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.347 -0.846 . . . . 0.0 109.064 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 289' ' ' ALA . . . . . . . . . . . . . . . -54.26 -58.01 9.02 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.376 -0.828 . . . . 0.0 109.558 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 290' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -51.11 -33.29 25.77 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.445 -0.784 . . . . 0.0 109.732 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -61.59 -47.59 84.78 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.23 -0.919 . . . . 0.0 109.264 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.05 -30.39 71.47 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.284 -0.885 . . . . 0.0 109.31 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -60.99 -61.66 2.42 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.283 -0.886 . . . . 0.0 109.302 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 294' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' B' ' 294' ' ' LEU . 97.6 mt -56.73 -28.24 60.7 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.345 -0.847 . . . . 0.0 109.491 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -60.99 -47.12 87.95 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.334 -0.854 . . . . 0.0 109.523 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.11 -43.79 90.85 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.228 -0.92 . . . . 0.0 109.513 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 66.4 m -53.56 -42.04 67.12 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.273 -0.892 . . . . 0.0 109.668 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -63.08 -55.62 23.92 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.16 -0.962 . . . . 0.0 109.582 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -56.96 -19.04 15.89 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.254 -0.904 . . . . 0.0 109.613 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 300' ' ' MET . . . . . 0.502 ' O ' ' CG ' ' B' ' 303' ' ' GLU . 0.0 OUTLIER -75.18 -61.91 1.74 Allowed 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.158 -0.964 . . . . 0.0 109.317 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 301' ' ' LEU . . . . . 0.563 HD23 ' OE1' ' B' ' 304' ' ' GLN . 4.5 mt -59.5 -19.15 45.95 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.201 -0.937 . . . . 0.0 109.147 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -79.05 -38.93 35.23 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.252 -0.905 . . . . 0.0 109.824 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 303' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' B' ' 300' ' ' MET . 8.0 pt-20 -70.02 -32.38 70.51 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.073 -1.017 . . . . 0.0 109.524 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 304' ' ' GLN . . . . . 0.563 ' OE1' HD23 ' B' ' 301' ' ' LEU . 13.6 pt20 -75.89 -39.78 55.75 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.262 -0.899 . . . . 0.0 109.383 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 305' ' ' VAL . . . . . 0.534 ' N ' ' HG3' ' B' ' 304' ' ' GLN . 53.2 t -70.83 -26.89 28.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.367 -0.833 . . . . 0.0 109.349 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -71.79 -51.35 23.02 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.285 -0.884 . . . . 0.0 109.1 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 307' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' B' ' 303' ' ' GLU . 2.7 pt20 -66.7 -22.28 66.07 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.159 -0.963 . . . . 0.0 109.123 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 308' ' ' LEU . . . . . 0.505 HD12 ' O ' ' B' ' 304' ' ' GLN . 0.3 OUTLIER -73.5 -42.06 62.29 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.414 -0.804 . . . . 0.0 109.433 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 309' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -76.45 -19.54 57.95 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.355 -0.841 . . . . 0.0 109.317 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 310' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -64.15 -26.23 68.44 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 121.239 -0.913 . . . . 0.0 109.349 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 311' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.7 -19.24 49.39 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.238 -0.914 . . . . 0.0 109.343 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 312' ' ' VAL . . . . . . . . . . . . . 95.8 t -88.77 -24.24 6.1 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 O-C-N 121.274 -0.891 . . . . 0.0 109.338 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.86 -27.8 28.43 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.263 -0.898 . . . . 0.0 109.425 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 314' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -84.0 -43.0 15.62 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.274 -0.891 . . . . 0.0 109.404 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 315' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.306 -1.296 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.428 -179.854 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.087 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -70.19 -24.94 63.21 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.295 -1.12 . . . . 0.0 109.584 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 277' ' ' ILE . . . . . 0.634 ' H ' HD12 ' A' ' 277' ' ' ILE . 5.1 mp -71.71 -62.49 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 O-C-N 121.27 -0.894 . . . . 0.0 109.466 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 278' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' A' ' 281' ' ' GLU . . . -47.64 -41.94 23.31 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.37 -0.831 . . . . 0.0 109.565 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -58.26 9.4 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 121.138 -0.976 . . . . 0.0 109.407 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 13.4 mt -47.97 -28.47 2.76 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.138 -0.976 . . . . 0.0 109.416 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 278' ' ' ALA . 0.5 OUTLIER -70.78 -52.61 19.56 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.287 -0.883 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -52.85 -36.5 59.02 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.254 -0.904 . . . . 0.0 109.066 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.35 -46.73 75.77 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.397 -0.814 . . . . 0.0 109.214 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 284' ' ' VAL . . . . . 0.542 HG22 HG22 ' B' ' 284' ' ' VAL . 78.4 t -61.63 -19.2 20.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.299 -0.876 . . . . 0.0 109.143 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -77.72 -47.61 18.69 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.293 -0.879 . . . . 0.0 109.281 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . 3.5 m -64.66 -31.7 73.04 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.252 -0.905 . . . . 0.0 109.403 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 287' ' ' LEU . . . . . 0.522 ' CD1' HG13 ' B' ' 284' ' ' VAL . 56.1 mt -69.84 -51.73 30.97 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.321 -0.862 . . . . 0.0 109.53 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -34.19 70.24 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.217 -0.927 . . . . 0.0 109.427 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 289' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 290' ' ' GLN . . . -64.24 -68.15 0.37 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.285 -0.885 . . . . 0.0 109.601 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 290' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 289' ' ' ALA . 10.0 mt-30 -43.77 -36.84 2.44 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.504 -0.748 . . . . 0.0 109.56 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -58.08 -52.12 66.87 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.311 -0.868 . . . . 0.0 109.352 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 27.4 m -61.77 -23.75 66.39 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 121.256 -0.902 . . . . 0.0 109.373 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.21 -68.34 0.41 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.23 -0.919 . . . . 0.0 109.462 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . 0.718 HD22 ' HA ' ' B' ' 295' ' ' ALA . 1.8 mt -56.02 -19.3 12.13 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.204 -0.935 . . . . 0.0 109.692 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 295' ' ' ALA . . . . . 0.701 ' HA ' HD22 ' B' ' 294' ' ' LEU . . . -71.96 -49.97 32.89 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.083 -1.011 . . . . 0.0 109.315 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.48 -35.79 82.07 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.215 -0.928 . . . . 0.0 109.276 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 9.3 m -60.59 -51.31 69.95 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.378 -0.826 . . . . 0.0 109.215 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 298' ' ' ALA . . . . . 0.412 ' HA ' HD12 ' A' ' 301' ' ' LEU . . . -61.96 -28.99 69.94 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.232 -0.918 . . . . 0.0 109.293 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -68.52 -34.49 75.97 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.213 -0.929 . . . . 0.0 109.375 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -43.76 58.79 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.196 -0.94 . . . . 0.0 109.464 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 305' ' ' VAL . 2.9 mt -68.73 -20.54 64.39 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.375 -0.828 . . . . 0.0 109.541 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 20.6 mtt180 -78.68 -53.77 6.8 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.217 -0.927 . . . . 0.0 109.512 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 307' ' ' GLN . 14.5 pt-20 -60.34 -36.71 78.6 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.263 -0.898 . . . . 0.0 109.725 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 304' ' ' GLN . . . . . 0.53 ' HG3' ' N ' ' A' ' 305' ' ' VAL . 3.0 pt20 -73.6 -41.32 63.02 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.065 -1.022 . . . . 0.0 109.663 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 305' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 301' ' ' LEU . 55.8 t -69.63 -16.15 20.15 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 O-C-N 121.256 -0.902 . . . . 0.0 109.11 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -81.47 -48.86 11.31 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.356 -0.84 . . . . 0.0 109.196 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 307' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 303' ' ' GLU . 33.9 mt-30 -63.64 -36.92 85.41 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.239 -0.913 . . . . 0.0 109.01 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.305 -1.358 0 O-C-N 121.34 -0.85 . . . . 0.0 109.23 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -69.95 -24.52 63.36 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.241 -1.152 . . . . 0.0 109.632 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 277' ' ' ILE . . . . . 0.634 HD12 ' H ' ' B' ' 277' ' ' ILE . 5.1 mp -72.22 -62.65 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 O-C-N 121.142 -0.974 . . . . 0.0 109.437 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 278' ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' B' ' 281' ' ' GLU . . . -47.66 -41.84 23.23 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.269 -0.894 . . . . 0.0 109.581 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -58.13 9.96 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.246 -0.909 . . . . 0.0 109.437 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 280' ' ' LEU . . . . . . . . . . . . . 13.6 mt -48.15 -28.43 2.95 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.152 -0.967 . . . . 0.0 109.351 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 281' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' B' ' 278' ' ' ALA . 0.5 OUTLIER -70.69 -52.94 17.77 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.298 -0.877 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -52.45 -36.68 55.26 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.158 -0.964 . . . . 0.0 109.061 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.13 -46.92 75.83 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.407 -0.808 . . . . 0.0 109.264 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 284' ' ' VAL . . . . . 0.542 HG22 HG22 ' A' ' 284' ' ' VAL . 79.0 t -61.64 -18.93 19.92 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 O-C-N 121.275 -0.89 . . . . 0.0 109.238 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -77.97 -47.4 18.65 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.327 -0.858 . . . . 0.0 109.368 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 286' ' ' THR . . . . . . . . . . . . . 3.5 m -64.74 -32.22 73.8 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.299 -0.876 . . . . 0.0 109.372 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 287' ' ' LEU . . . . . 0.52 ' CD1' HG13 ' A' ' 284' ' ' VAL . 55.2 mt -69.41 -51.71 33.82 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.238 -0.913 . . . . 0.0 109.518 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -33.87 70.11 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.215 -0.928 . . . . 0.0 109.5 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 289' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' B' ' 290' ' ' GLN . . . -64.51 -68.22 0.37 Allowed 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.25 -0.906 . . . . 0.0 109.676 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 290' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' B' ' 289' ' ' ALA . 9.6 mt-30 -43.67 -34.45 1.48 Allowed 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.512 -0.742 . . . . 0.0 109.61 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -60.01 -54.35 47.12 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.356 -0.84 . . . . 0.0 109.184 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 21.9 m -59.35 -23.16 62.3 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.32 -0.862 . . . . 0.0 109.341 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -70.15 -68.62 0.41 Allowed 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.29 -0.881 . . . . 0.0 109.535 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 294' ' ' LEU . . . . . 0.701 HD22 ' HA ' ' A' ' 295' ' ' ALA . 1.9 mt -56.11 -18.93 11.19 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.307 -0.871 . . . . 0.0 109.683 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 295' ' ' ALA . . . . . 0.718 ' HA ' HD22 ' A' ' 294' ' ' LEU . . . -72.29 -49.92 31.02 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.164 -0.96 . . . . 0.0 109.376 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -36.16 83.3 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.181 -0.949 . . . . 0.0 109.205 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 9.5 m -60.21 -51.67 68.59 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.242 -0.911 . . . . 0.0 109.246 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 298' ' ' ALA . . . . . 0.429 ' HA ' HD12 ' B' ' 301' ' ' LEU . . . -61.71 -29.18 69.93 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.238 -0.914 . . . . 0.0 109.307 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -68.37 -34.56 76.28 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.313 -0.867 . . . . 0.0 109.39 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 300' ' ' MET . . . . . 0.405 ' O ' ' HG2' ' B' ' 303' ' ' GLU . 0.0 OUTLIER -73.49 -43.51 59.98 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.311 -0.868 . . . . 0.0 109.464 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 301' ' ' LEU . . . . . 0.611 ' O ' HG23 ' B' ' 305' ' ' VAL . 2.8 mt -69.24 -20.3 63.94 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.328 -0.857 . . . . 0.0 109.544 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -78.83 -53.01 7.53 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.31 -0.869 . . . . 0.0 109.488 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 303' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' B' ' 307' ' ' GLN . 14.5 pt-20 -60.98 -36.78 80.34 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.262 -0.899 . . . . 0.0 109.735 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 304' ' ' GLN . . . . . 0.506 ' HG3' ' N ' ' B' ' 305' ' ' VAL . 3.0 pt20 -73.62 -41.1 63.24 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.165 -0.96 . . . . 0.0 109.664 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 305' ' ' VAL . . . . . 0.611 HG23 ' O ' ' B' ' 301' ' ' LEU . 54.7 t -69.72 -16.29 20.24 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 121.239 -0.913 . . . . 0.0 109.167 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -81.54 -48.62 11.57 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.331 -0.855 . . . . 0.0 109.294 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 307' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' B' ' 303' ' ' GLU . 33.9 mt-30 -63.81 -37.08 86.06 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.206 -0.934 . . . . 0.0 108.934 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 308' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.304 -1.386 0 O-C-N 121.401 -0.812 . . . . 0.0 109.198 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.033 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 276' ' ' ARG . . . . . 0.413 ' NH2' ' HG2' ' A' ' 276' ' ' ARG . 0.0 OUTLIER -90.48 -22.55 21.32 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.168 -1.195 . . . . 0.0 109.354 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 277' ' ' ILE . . . . . . . . . . . . . 4.6 mt -72.49 -35.5 51.5 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 121.268 -0.895 . . . . 0.0 109.452 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . -61.31 -48.84 79.53 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.174 -0.954 . . . . 0.0 109.222 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -63.32 -47.1 83.64 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.328 -0.858 . . . . 0.0 109.412 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 5.1 mt -54.04 -45.81 71.72 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.347 -0.845 . . . . 0.0 109.721 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.36 -48.98 78.83 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.175 -0.953 . . . . 0.0 109.549 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.69 -29.63 69.44 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.227 -0.921 . . . . 0.0 109.127 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.66 -49.22 41.84 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.311 -0.868 . . . . 0.0 109.543 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 284' ' ' VAL . . . . . 0.584 HG22 HG22 ' B' ' 284' ' ' VAL . 98.5 t -60.53 -27.26 39.87 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.26 -0.9 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -52.27 22.56 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.208 -0.932 . . . . 0.0 109.289 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . 0.535 ' O ' ' HB3' ' A' ' 289' ' ' ALA . 0.0 OUTLIER -55.24 -47.15 75.81 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.27 -0.894 . . . . 0.0 109.336 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 287' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.25 -55.72 19.43 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.285 -0.885 . . . . 0.0 109.134 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.49 -37.92 41.3 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.217 -0.927 . . . . 0.0 109.184 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 289' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 286' ' ' THR . . . -55.17 -64.08 0.95 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.32 -0.862 . . . . 0.0 109.373 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 290' ' ' GLN . . . . . 0.454 ' HA ' ' HB2' ' A' ' 293' ' ' GLU . 27.9 mt-30 -48.23 -41.99 29.02 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.366 -0.834 . . . . 0.0 109.409 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -52.22 -62.03 1.9 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.38 -0.825 . . . . 0.0 109.609 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.55 -24.92 66.97 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.22 -0.925 . . . . 0.0 109.638 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . 0.454 ' HB2' ' HA ' ' A' ' 290' ' ' GLN . 17.8 mt-10 -70.32 -75.92 0.11 Allowed 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.183 -0.948 . . . . 0.0 109.631 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 1.2 mt -51.42 -46.54 62.97 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.228 -0.92 . . . . 0.0 109.771 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -47.9 -59.09 3.6 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.122 -0.986 . . . . 0.0 109.609 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.64 -48.78 39.4 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.264 -0.898 . . . . 0.0 109.673 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 6.7 m -56.17 -53.62 54.96 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.196 -0.94 . . . . 0.0 109.513 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 298' ' ' ALA . . . . . 0.98 ' HB2' ' HB2' ' B' ' 298' ' ' ALA . . . -57.82 -26.09 61.52 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.228 -0.92 . . . . 0.0 109.463 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -70.8 -50.12 39.08 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.25 -0.906 . . . . 0.0 109.617 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 300' ' ' MET . . . . . 0.443 ' O ' ' HG2' ' A' ' 304' ' ' GLN . 41.2 ttm -64.74 -52.75 55.42 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.248 -0.907 . . . . 0.0 109.68 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 74.4 mt -46.89 -56.8 5.72 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.235 -0.916 . . . . 0.0 109.689 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -37.99 64.97 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.234 -0.916 . . . . 0.0 109.741 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 307' ' ' GLN . 1.7 mm-40 -61.66 -42.6 99.14 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.143 -0.973 . . . . 0.0 109.696 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 304' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 300' ' ' MET . 33.9 mm-40 -65.19 -60.64 2.78 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.132 -0.98 . . . . 0.0 109.143 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 305' ' ' VAL . . . . . 0.823 HG22 HG22 ' B' ' 305' ' ' VAL . 4.5 t -53.5 -24.84 9.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.271 -0.893 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -74.92 -45.58 41.61 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.314 -0.866 . . . . 0.0 109.511 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 307' ' ' GLN . . . . . 0.416 ' HG2' ' HA ' ' A' ' 304' ' ' GLN . 3.2 pt20 -76.86 -17.98 58.64 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.334 -0.854 . . . . 0.0 109.388 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.304 -1.411 0 O-C-N 121.338 -0.851 . . . . 0.0 109.314 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -1.008 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 276' ' ' ARG . . . . . 0.405 ' NH2' ' HG2' ' B' ' 276' ' ' ARG . 0.0 OUTLIER -90.12 -23.34 21.39 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.179 -1.189 . . . . 0.0 109.428 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 277' ' ' ILE . . . . . . . . . . . . . 4.7 mt -71.73 -35.45 55.45 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 O-C-N 121.309 -0.869 . . . . 0.0 109.445 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 278' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.01 78.66 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.169 -0.957 . . . . 0.0 109.268 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -63.19 -46.98 84.55 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.259 -0.901 . . . . 0.0 109.418 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 280' ' ' LEU . . . . . . . . . . . . . 5.1 mt -54.23 -45.51 72.32 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.231 -0.918 . . . . 0.0 109.656 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.67 -49.03 78.16 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.167 -0.958 . . . . 0.0 109.504 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -29.35 69.17 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.219 -0.926 . . . . 0.0 109.172 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.94 -49.04 40.96 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.374 -0.829 . . . . 0.0 109.513 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 284' ' ' VAL . . . . . 0.584 HG22 HG22 ' A' ' 284' ' ' VAL . 98.4 t -60.76 -27.92 41.93 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 O-C-N 121.219 -0.925 . . . . 0.0 109.267 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -52.3 25.54 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.264 -0.897 . . . . 0.0 109.295 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 286' ' ' THR . . . . . 0.537 ' O ' ' HB3' ' B' ' 289' ' ' ALA . 0.0 OUTLIER -55.01 -47.78 74.24 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.16 -0.963 . . . . 0.0 109.323 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 287' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.69 -55.72 17.88 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.203 -0.935 . . . . 0.0 109.139 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.66 -37.32 40.16 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.343 -0.848 . . . . 0.0 109.254 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 289' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' B' ' 286' ' ' THR . . . -55.88 -63.55 1.14 Allowed 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.382 -0.824 . . . . 0.0 109.486 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 290' ' ' GLN . . . . . 0.454 ' HA ' ' HB2' ' B' ' 293' ' ' GLU . 27.5 mt-30 -48.02 -44.12 30.67 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.323 -0.861 . . . . 0.0 109.563 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -51.02 -64.35 0.84 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.224 -0.922 . . . . 0.0 109.633 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.16 -25.78 61.91 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.248 -0.907 . . . . 0.0 109.512 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 293' ' ' GLU . . . . . 0.454 ' HB2' ' HA ' ' B' ' 290' ' ' GLN . 17.8 mt-10 -70.16 -75.43 0.12 Allowed 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.249 -0.907 . . . . 0.0 109.571 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 294' ' ' LEU . . . . . . . . . . . . . 1.2 mt -52.36 -45.91 65.92 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.345 -0.847 . . . . 0.0 109.771 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -48.12 -58.93 3.82 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.131 -0.981 . . . . 0.0 109.537 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.78 -48.86 40.76 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.23 -0.919 . . . . 0.0 109.611 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 6.5 m -55.97 -53.79 52.64 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.214 -0.929 . . . . 0.0 109.457 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 298' ' ' ALA . . . . . 0.98 ' HB2' ' HB2' ' A' ' 298' ' ' ALA . . . -57.56 -26.25 61.15 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.165 -0.959 . . . . 0.0 109.494 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -71.0 -50.17 37.18 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.331 -0.856 . . . . 0.0 109.595 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 300' ' ' MET . . . . . 0.448 ' O ' ' HG2' ' B' ' 304' ' ' GLN . 40.9 ttm -64.65 -52.5 56.98 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.203 -0.936 . . . . 0.0 109.674 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 70.9 mt -47.31 -56.75 6.22 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.349 -0.844 . . . . 0.0 109.708 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -37.93 64.63 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.212 -0.93 . . . . 0.0 109.687 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 303' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' B' ' 307' ' ' GLN . 1.7 mm-40 -61.79 -42.73 99.38 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.212 -0.93 . . . . 0.0 109.717 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 304' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' B' ' 300' ' ' MET . 33.4 mm-40 -65.2 -60.54 2.89 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.112 -0.992 . . . . 0.0 109.184 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 305' ' ' VAL . . . . . 0.823 HG22 HG22 ' A' ' 305' ' ' VAL . 4.5 t -53.28 -25.44 10.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 O-C-N 121.285 -0.884 . . . . 0.0 109.388 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -74.38 -46.02 43.07 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.239 -0.913 . . . . 0.0 109.572 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 307' ' ' GLN . . . . . 0.425 ' HG2' ' HA ' ' B' ' 304' ' ' GLN . 3.2 pt20 -76.2 -17.94 59.3 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.251 -0.906 . . . . 0.0 109.392 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 308' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.305 -1.357 0 O-C-N 121.221 -0.924 . . . . 0.0 109.257 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -1.099 0 N-CA-C 109.629 -1.389 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -33.86 39.69 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.346 -1.09 . . . . 0.0 109.405 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 277' ' ' ILE . . . . . . . . . . . . . 63.2 mt -56.77 -54.48 28.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.322 -0.861 . . . . 0.0 109.665 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . -49.11 -45.61 43.66 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.318 -0.864 . . . . 0.0 109.693 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -62.81 -50.01 72.69 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.228 -0.92 . . . . 0.0 109.711 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . 0.664 HD13 HD13 ' B' ' 280' ' ' LEU . 5.4 mt -57.47 -58.54 7.83 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.25 -0.906 . . . . 0.0 109.6 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.4 -42.93 43.83 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.275 -0.891 . . . . 0.0 109.603 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -59.06 -35.61 73.64 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.257 -0.902 . . . . 0.0 109.397 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -74.45 -48.59 26.55 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.32 -0.863 . . . . 0.0 109.471 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 284' ' ' VAL . . . . . . . . . . . . . 82.0 t -55.26 -33.25 30.3 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 O-C-N 121.327 -0.858 . . . . 0.0 109.455 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -73.39 -53.29 11.08 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.249 -0.907 . . . . 0.0 109.318 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . 0.521 ' O ' ' HB3' ' A' ' 289' ' ' ALA . 91.6 m -51.43 -39.72 57.92 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.208 -0.932 . . . . 0.0 109.126 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 287' ' ' LEU . . . . . 0.51 ' CB ' HD13 ' B' ' 287' ' ' LEU . 9.7 mt -60.64 -60.75 3.31 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.314 -0.866 . . . . 0.0 109.262 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 288' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 287' ' ' LEU . 0.0 OUTLIER -44.87 -29.33 0.78 Allowed 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.466 -0.771 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 289' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 286' ' ' THR . . . -67.81 -59.52 3.24 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.17 -0.957 . . . . 0.0 109.331 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 290' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -50.96 -36.65 39.97 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.41 -0.806 . . . . 0.0 109.552 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -60.72 -53.09 61.6 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.08 -1.012 . . . . 0.0 109.204 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -29.1 68.93 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.262 -0.899 . . . . 0.0 109.235 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -72.43 -70.61 0.33 Allowed 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.235 -0.916 . . . . 0.0 109.593 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' B' ' 295' ' ' ALA . 0.3 OUTLIER -51.69 -27.23 11.08 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.254 -0.904 . . . . 0.0 109.549 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 295' ' ' ALA . . . . . 0.474 ' HA ' HD22 ' B' ' 294' ' ' LEU . . . -64.54 -54.84 25.86 Favored 'General case' 0 C--N 1.305 -1.326 0 O-C-N 121.135 -0.978 . . . . 0.0 109.394 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -41.04 93.92 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.292 -0.88 . . . . 0.0 109.475 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 297' ' ' THR . . . . . 0.461 ' O ' ' HB3' ' A' ' 300' ' ' MET . 23.0 m -57.23 -51.65 68.49 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.16 -0.963 . . . . 0.0 109.569 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 298' ' ' ALA . . . . . . . . . . . . . . . -57.89 -58.27 9.13 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.2 -0.938 . . . . 0.0 109.417 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -46.26 -32.65 3.2 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.244 -0.91 . . . . 0.0 109.325 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 300' ' ' MET . . . . . 0.461 ' HB3' ' O ' ' A' ' 297' ' ' THR . 1.7 ttp -66.64 -59.37 3.66 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.164 -0.96 . . . . 0.0 109.293 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.59 -16.8 51.47 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.295 -0.878 . . . . 0.0 109.448 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 302' ' ' ARG . . . . . 0.442 ' NH1' ' HG2' ' A' ' 302' ' ' ARG . 0.0 OUTLIER -74.9 -48.55 24.16 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.352 -0.842 . . . . 0.0 109.542 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 300' ' ' MET . 5.1 pt-20 -64.52 -37.15 86.53 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.208 -0.933 . . . . 0.0 109.53 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 304' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 307' ' ' GLN . 0.1 OUTLIER -64.0 -61.68 2.12 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.108 -0.995 . . . . 0.0 109.152 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 305' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 304' ' ' GLN . 39.6 t -46.51 -35.63 2.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.303 -0.873 . . . . 0.0 109.168 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -66.34 -34.84 78.88 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.29 -0.881 . . . . 0.0 109.226 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 307' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 304' ' ' GLN . 2.9 mt-30 -76.29 -53.3 8.42 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.255 -0.903 . . . . 0.0 109.261 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.668 ' HB3' HD22 ' B' ' 308' ' ' LEU . 3.9 mt . . . . . 0 C--N 1.304 -1.399 0 O-C-N 121.391 -0.818 . . . . 0.0 109.452 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.044 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -34.42 43.85 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.201 -1.176 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 277' ' ' ILE . . . . . 0.401 HD13 HG21 ' B' ' 277' ' ' ILE . 64.2 mt -56.41 -54.22 30.95 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.361 -0.837 . . . . 0.0 109.577 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 278' ' ' ALA . . . . . . . . . . . . . . . -49.22 -45.86 45.08 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.07 -1.019 . . . . 0.0 109.567 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -62.47 -50.38 71.69 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.269 -0.894 . . . . 0.0 109.716 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 280' ' ' LEU . . . . . 0.664 HD13 HD13 ' A' ' 280' ' ' LEU . 5.4 mt -57.12 -58.83 6.46 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.192 -0.942 . . . . 0.0 109.571 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.23 -43.22 42.4 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.223 -0.923 . . . . 0.0 109.597 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -58.91 -35.3 72.84 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.221 -0.925 . . . . 0.0 109.386 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -74.67 -48.72 24.54 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.297 -0.877 . . . . 0.0 109.574 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 284' ' ' VAL . . . . . . . . . . . . . 78.7 t -55.14 -33.12 29.17 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 O-C-N 121.315 -0.865 . . . . 0.0 109.398 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -73.72 -53.47 10.27 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.2 -0.938 . . . . 0.0 109.283 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 286' ' ' THR . . . . . 0.516 ' O ' ' HB3' ' B' ' 289' ' ' ALA . 91.5 m -51.14 -39.53 56.48 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.115 -0.991 . . . . 0.0 109.068 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 287' ' ' LEU . . . . . 0.51 HD13 ' CB ' ' A' ' 287' ' ' LEU . 9.5 mt -60.86 -61.01 2.9 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.431 -0.793 . . . . 0.0 109.201 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 288' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' B' ' 287' ' ' LEU . 0.0 OUTLIER -44.69 -29.36 0.75 Allowed 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.382 -0.824 . . . . 0.0 109.377 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 289' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' B' ' 286' ' ' THR . . . -67.57 -59.69 3.15 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.26 -0.9 . . . . 0.0 109.167 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 290' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -51.33 -36.96 45.22 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.416 -0.803 . . . . 0.0 109.315 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 291' ' ' ASN . . . . . 0.406 ' O ' ' HB2' ' B' ' 295' ' ' ALA . 3.7 m-20 -59.61 -51.56 69.31 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.22 -0.925 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -28.74 70.23 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.271 -0.893 . . . . 0.0 109.34 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -72.23 -70.59 0.33 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.24 -0.912 . . . . 0.0 109.445 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 294' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' A' ' 295' ' ' ALA . 0.3 OUTLIER -51.7 -27.14 10.83 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.265 -0.897 . . . . 0.0 109.628 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 295' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' B' ' 291' ' ' ASN . . . -64.56 -53.92 40.23 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.135 -0.978 . . . . 0.0 109.541 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.6 -40.44 94.8 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.18 -0.95 . . . . 0.0 109.604 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 297' ' ' THR . . . . . 0.456 ' O ' ' HB3' ' B' ' 300' ' ' MET . 21.8 m -57.86 -51.9 67.68 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.156 -0.965 . . . . 0.0 109.58 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 298' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' B' ' 299' ' ' ASN . . . -57.31 -58.32 8.78 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.343 -0.848 . . . . 0.0 109.513 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 299' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' B' ' 298' ' ' ALA . 1.1 m-20 -46.21 -33.05 3.37 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.209 -0.932 . . . . 0.0 109.353 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 300' ' ' MET . . . . . 0.456 ' HB3' ' O ' ' B' ' 297' ' ' THR . 1.8 ttp -66.33 -58.98 4.17 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.281 -0.887 . . . . 0.0 109.365 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 301' ' ' LEU . . . . . 0.416 ' HA ' ' HG3' ' B' ' 304' ' ' GLN . 74.3 mt -61.75 -17.28 55.3 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.264 -0.898 . . . . 0.0 109.441 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 302' ' ' ARG . . . . . 0.436 ' NH1' ' HG2' ' B' ' 302' ' ' ARG . 0.0 OUTLIER -74.39 -48.67 26.39 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.221 -0.924 . . . . 0.0 109.544 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 303' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' B' ' 300' ' ' MET . 5.3 pt-20 -64.31 -37.07 86.21 Favored 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.311 -0.868 . . . . 0.0 109.753 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 304' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' B' ' 307' ' ' GLN . 0.1 OUTLIER -64.16 -61.17 2.42 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.186 -0.946 . . . . 0.0 109.105 179.84 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 305' ' ' VAL . . . . . . . . . . . . . 39.0 t -47.27 -34.78 3.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.439 -0.788 . . . . 0.0 109.266 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -67.33 -34.01 76.46 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.292 -0.88 . . . . 0.0 109.293 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 307' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' B' ' 304' ' ' GLN . 2.9 mt-30 -77.02 -53.08 8.26 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.256 -0.903 . . . . 0.0 109.304 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 308' ' ' LEU . . . . . 0.668 HD22 ' HB3' ' A' ' 308' ' ' LEU . 3.9 mt . . . . . 0 C--N 1.304 -1.391 0 O-C-N 121.399 -0.813 . . . . 0.0 109.433 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -1.158 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 276' ' ' ARG . . . . . 0.445 ' O ' HD12 ' A' ' 280' ' ' LEU . 0.6 OUTLIER -62.88 -33.17 74.73 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.248 -1.148 . . . . 0.0 109.409 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 277' ' ' ILE . . . . . 0.663 ' N ' HD12 ' A' ' 277' ' ' ILE . 2.3 mp -71.37 -36.88 62.95 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 O-C-N 121.28 -0.887 . . . . 0.0 108.988 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . -55.56 -59.52 4.71 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.292 -0.88 . . . . 0.0 108.856 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -46.99 80.54 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.298 -0.876 . . . . 0.0 109.177 179.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . 0.74 ' O ' HG23 ' A' ' 284' ' ' VAL . 0.2 OUTLIER -50.22 -44.82 53.43 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.364 -0.835 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.43 -33.69 76.55 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.304 -0.872 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.53 -38.91 77.7 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.28 -0.887 . . . . 0.0 108.701 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -65.95 -35.99 82.11 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.468 -0.77 . . . . 0.0 108.924 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 284' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 280' ' ' LEU . 58.4 t -61.34 -54.56 33.45 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.444 -0.785 . . . . 0.0 109.008 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -43.99 73.57 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.26 -0.9 . . . . 0.0 109.136 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . 39.9 m -56.01 -45.1 79.19 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.266 -0.896 . . . . 0.0 109.022 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 287' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 288' ' ' LYS . 4.4 mt -59.27 -53.92 52.78 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.378 -0.826 . . . . 0.0 109.045 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 288' ' ' LYS . . . . . 0.415 ' HE2' HG12 ' A' ' 284' ' ' VAL . 0.0 OUTLIER -47.49 -43.55 24.59 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.332 -0.855 . . . . 0.0 109.21 179.741 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 289' ' ' ALA . . . . . . . . . . . . . . . -54.04 -61.35 2.36 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.162 -0.961 . . . . 0.0 109.189 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 290' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -48.18 -36.82 14.35 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.32 -0.863 . . . . 0.0 109.377 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -60.07 -45.26 93.49 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.227 -0.921 . . . . 0.0 109.16 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.2 -29.93 70.29 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.348 -0.845 . . . . 0.0 108.919 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -70.61 -50.78 33.41 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.321 -0.862 . . . . 0.0 109.288 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . 0.499 ' HB3' ' HB3' ' B' ' 294' ' ' LEU . 0.3 OUTLIER -64.68 -39.19 93.25 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.21 -0.932 . . . . 0.0 109.376 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -63.06 -47.06 84.58 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.352 -0.843 . . . . 0.0 109.422 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 2.2 t -63.95 -48.78 75.14 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.301 -0.874 . . . . 0.0 109.51 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 58.1 m -57.13 -52.92 63.36 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.334 -0.854 . . . . 0.0 109.603 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 298' ' ' ALA . . . . . . . . . . . . . . . -49.86 -54.05 21.9 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.19 -0.944 . . . . 0.0 109.497 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -53.73 -36.85 62.74 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.241 -0.912 . . . . 0.0 109.51 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 300' ' ' MET . . . . . . . . . . . . . 1.1 mtp -60.85 -42.35 97.65 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.291 -0.881 . . . . 0.0 109.536 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.904 ' O ' HG23 ' A' ' 305' ' ' VAL . 38.4 mt -69.49 -23.63 63.66 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.292 -0.88 . . . . 0.0 109.632 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -51.34 9.04 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.194 -0.941 . . . . 0.0 109.804 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -60.94 -31.04 70.6 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.095 -1.003 . . . . 0.0 109.726 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 304' ' ' GLN . . . . . 0.527 ' HG3' ' N ' ' A' ' 305' ' ' VAL . 3.6 pt20 -77.95 -40.77 38.43 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.217 -0.927 . . . . 0.0 109.668 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 305' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 301' ' ' LEU . 58.8 t -59.11 -49.6 82.74 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 O-C-N 121.107 -0.996 . . . . 0.0 109.227 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.21 94.06 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.275 -0.891 . . . . 0.0 108.936 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 307' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -66.3 -27.39 67.88 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.364 -0.835 . . . . 0.0 109.048 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--N 1.306 -1.304 0 O-C-N 121.306 -0.871 . . . . 0.0 109.229 179.91 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.037 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 276' ' ' ARG . . . . . 0.451 ' O ' HD12 ' B' ' 280' ' ' LEU . 0.6 OUTLIER -62.96 -32.83 74.24 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.221 -1.164 . . . . 0.0 109.348 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 277' ' ' ILE . . . . . 0.66 ' N ' HD12 ' B' ' 277' ' ' ILE . 2.3 mp -71.66 -36.53 59.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.304 -0.873 . . . . 0.0 108.979 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 278' ' ' ALA . . . . . . . . . . . . . . . -55.6 -59.53 4.71 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.356 -0.84 . . . . 0.0 108.835 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -47.19 81.26 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.253 -0.904 . . . . 0.0 109.025 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 280' ' ' LEU . . . . . 0.719 ' O ' HG23 ' B' ' 284' ' ' VAL . 0.2 OUTLIER -49.96 -45.15 51.11 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.359 -0.838 . . . . 0.0 109.363 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.0 -33.62 76.49 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.254 -0.904 . . . . 0.0 109.231 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.63 -39.23 77.29 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.251 -0.906 . . . . 0.0 108.69 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -65.87 -35.55 80.95 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.415 -0.803 . . . . 0.0 108.909 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 284' ' ' VAL . . . . . 0.719 HG23 ' O ' ' B' ' 280' ' ' LEU . 58.3 t -61.8 -54.36 35.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.389 -0.819 . . . . 0.0 109.023 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -44.13 73.64 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.22 -0.925 . . . . 0.0 109.196 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 286' ' ' THR . . . . . . . . . . . . . 42.4 m -55.82 -44.92 78.38 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.377 -0.827 . . . . 0.0 108.988 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 287' ' ' LEU . . . . . . . . . . . . . 4.3 mt -59.42 -53.53 57.15 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.333 -0.854 . . . . 0.0 109.013 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 288' ' ' LYS . . . . . 0.411 ' HE2' HG12 ' B' ' 284' ' ' VAL . 0.0 OUTLIER -48.28 -42.54 31.08 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.385 -0.822 . . . . 0.0 109.149 179.785 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 289' ' ' ALA . . . . . . . . . . . . . . . -54.77 -61.32 2.38 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.294 -0.879 . . . . 0.0 109.183 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 290' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -48.28 -37.96 17.62 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.357 -0.839 . . . . 0.0 109.43 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.84 -46.46 87.66 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.168 -0.958 . . . . 0.0 109.09 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 1.1 m -64.9 -30.28 71.27 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.282 -0.886 . . . . 0.0 109.036 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -70.44 -50.46 38.07 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.372 -0.83 . . . . 0.0 109.248 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 294' ' ' LEU . . . . . 0.499 ' HB3' ' HB3' ' A' ' 294' ' ' LEU . 0.3 OUTLIER -64.95 -38.7 91.83 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.429 -0.794 . . . . 0.0 109.421 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -63.84 -46.33 85.52 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.288 -0.883 . . . . 0.0 109.501 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 2.1 t -64.42 -48.07 76.75 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.322 -0.861 . . . . 0.0 109.557 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 53.6 m -57.86 -52.62 64.74 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.202 -0.936 . . . . 0.0 109.674 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -50.05 -53.95 23.52 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.24 -0.913 . . . . 0.0 109.56 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -53.84 -37.24 63.42 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.199 -0.938 . . . . 0.0 109.52 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.47 -42.46 96.3 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.261 -0.9 . . . . 0.0 109.38 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 301' ' ' LEU . . . . . 0.886 ' O ' HG23 ' B' ' 305' ' ' VAL . 40.4 mt -69.47 -23.71 63.69 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.26 -0.9 . . . . 0.0 109.719 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.15 -51.46 8.95 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.257 -0.902 . . . . 0.0 109.884 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -60.57 -31.2 70.34 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.115 -0.991 . . . . 0.0 109.835 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 304' ' ' GLN . . . . . 0.53 ' HG3' ' N ' ' B' ' 305' ' ' VAL . 3.6 pt20 -77.96 -41.06 37.39 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.097 -1.002 . . . . 0.0 109.588 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 305' ' ' VAL . . . . . 0.886 HG23 ' O ' ' B' ' 301' ' ' LEU . 61.1 t -58.62 -49.9 80.93 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.147 -0.971 . . . . 0.0 109.218 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -63.0 -39.3 94.35 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.243 -0.91 . . . . 0.0 109.13 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 307' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -66.02 -27.06 67.83 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.35 -0.844 . . . . 0.0 109.026 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 308' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.305 -1.339 0 O-C-N 121.392 -0.818 . . . . 0.0 109.238 179.901 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.065 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.77 -24.12 26.99 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.175 -1.191 . . . . 0.0 109.613 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 277' ' ' ILE . . . . . . . . . . . . . 2.6 mt -65.83 -30.37 49.83 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 O-C-N 121.267 -0.896 . . . . 0.0 109.361 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . -67.51 -34.24 76.72 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.161 -0.962 . . . . 0.0 109.23 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -70.92 -54.08 12.7 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.252 -0.905 . . . . 0.0 109.384 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 1.9 mt -52.37 -40.85 62.54 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.251 -0.905 . . . . 0.0 109.44 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.15 -48.06 83.33 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.287 -0.883 . . . . 0.0 109.355 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -62.5 -19.27 63.41 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.34 -0.85 . . . . 0.0 109.178 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.24 -43.97 26.85 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.279 -0.888 . . . . 0.0 109.359 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 284' ' ' VAL . . . . . . . . . . . . . 82.7 t -68.82 -26.06 31.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 121.201 -0.937 . . . . 0.0 108.877 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -74.61 -62.34 1.57 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.457 -0.777 . . . . 0.0 109.054 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . 0.529 ' O ' ' HB3' ' A' ' 289' ' ' ALA . 44.0 m -50.45 -36.38 33.11 Favored 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.301 -0.874 . . . . 0.0 109.065 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 287' ' ' LEU . . . . . 0.719 HD13 ' HB3' ' B' ' 287' ' ' LEU . 5.0 mt -61.95 -50.88 70.35 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.506 -0.746 . . . . 0.0 109.106 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -21.98 48.51 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.32 -0.863 . . . . 0.0 108.89 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 289' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 286' ' ' THR . . . -71.02 -68.32 0.45 Allowed 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.395 -0.816 . . . . 0.0 109.556 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 290' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -59.82 -15.79 23.45 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.402 -0.811 . . . . 0.0 109.818 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 291' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 287' ' ' LEU . 0.6 OUTLIER -73.62 -53.2 11.03 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.203 -0.936 . . . . 0.0 109.462 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 1.5 t -67.0 -26.38 66.76 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.189 -0.944 . . . . 0.0 109.311 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.14 -60.91 2.22 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.311 -0.868 . . . . 0.0 109.606 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . 0.504 HD22 ' HA ' ' B' ' 295' ' ' ALA . 12.9 mt -54.08 -39.42 66.31 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.218 -0.926 . . . . 0.0 109.483 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 295' ' ' ALA . . . . . 0.478 ' HA ' HD22 ' B' ' 294' ' ' LEU . . . -57.82 -47.37 82.84 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.245 -0.909 . . . . 0.0 109.527 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 24.6 t -59.04 -59.3 5.69 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.289 -0.882 . . . . 0.0 109.69 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 45.4 m -51.48 -25.09 5.88 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.167 -0.958 . . . . 0.0 109.713 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 298' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 295' ' ' ALA . . . -70.3 -57.42 4.88 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.258 -0.901 . . . . 0.0 109.942 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 299' ' ' ASN . . . . . 0.497 ' OD1' ' N ' ' A' ' 300' ' ' MET . 29.9 p30 -63.17 -18.4 63.44 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.287 -0.883 . . . . 0.0 110.061 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 300' ' ' MET . . . . . 0.503 ' O ' ' HG2' ' A' ' 303' ' ' GLU . 1.1 mmt -79.28 -41.05 28.96 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.086 -1.009 . . . . 0.0 109.823 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.904 ' O ' HG23 ' A' ' 305' ' ' VAL . 69.2 mt -73.38 -29.66 62.77 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.037 -1.039 . . . . 0.0 109.507 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 302' ' ' ARG . . . . . 0.403 ' HB3' ' NH1' ' A' ' 302' ' ' ARG . 0.1 OUTLIER -74.42 -48.35 28.25 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.32 -0.863 . . . . 0.0 109.441 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . 0.526 ' HG3' ' N ' ' A' ' 304' ' ' GLN . 12.3 pt-20 -59.07 -39.93 83.64 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.231 -0.918 . . . . 0.0 109.632 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 304' ' ' GLN . . . . . 0.526 ' N ' ' HG3' ' A' ' 303' ' ' GLU . 4.2 pt20 -70.91 -31.26 67.84 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.212 -0.93 . . . . 0.0 109.676 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 305' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 301' ' ' LEU . 55.6 t -64.87 -40.76 90.16 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.29 0 O-C-N 121.065 -1.022 . . . . 0.0 109.135 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -68.12 -36.88 80.44 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.262 -0.899 . . . . 0.0 109.133 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 307' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -61.81 -37.87 86.03 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.19 -0.944 . . . . 0.0 109.101 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.303 -1.431 0 O-C-N 121.52 -0.737 . . . . 0.0 109.431 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.033 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.66 -23.61 27.4 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.156 -1.202 . . . . 0.0 109.667 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 277' ' ' ILE . . . . . . . . . . . . . 2.5 mt -66.36 -30.02 48.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 O-C-N 121.091 -1.005 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 278' ' ' ALA . . . . . . . . . . . . . . . -67.86 -34.09 76.01 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.267 -0.896 . . . . 0.0 109.29 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -70.7 -54.09 13.17 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.36 -0.838 . . . . 0.0 109.37 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 280' ' ' LEU . . . . . . . . . . . . . 2.0 mt -52.61 -40.93 63.22 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.267 -0.896 . . . . 0.0 109.339 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.13 -47.51 85.6 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.297 -0.877 . . . . 0.0 109.325 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -62.92 -19.27 64.07 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.354 -0.841 . . . . 0.0 109.222 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.36 -44.05 26.08 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.413 -0.805 . . . . 0.0 109.398 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 284' ' ' VAL . . . . . . . . . . . . . 82.3 t -68.64 -26.3 32.82 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 O-C-N 121.142 -0.974 . . . . 0.0 108.967 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -74.32 -62.38 1.54 Allowed 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.418 -0.801 . . . . 0.0 109.148 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 286' ' ' THR . . . . . 0.525 ' O ' ' HB3' ' B' ' 289' ' ' ALA . 37.6 m -50.64 -35.86 32.63 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.272 -0.893 . . . . 0.0 109.016 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 287' ' ' LEU . . . . . 0.719 ' HB3' HD13 ' A' ' 287' ' ' LEU . 5.0 mt -62.36 -50.25 72.34 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.282 -0.886 . . . . 0.0 109.085 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -21.46 56.1 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.355 -0.84 . . . . 0.0 108.879 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 289' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' B' ' 286' ' ' THR . . . -71.64 -69.29 0.39 Allowed 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.469 -0.77 . . . . 0.0 109.53 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 290' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -58.74 -16.26 15.88 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.369 -0.832 . . . . 0.0 109.397 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -71.72 -56.2 6.24 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.387 -0.821 . . . . 0.0 109.487 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 1.6 t -65.96 -25.92 67.34 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.289 -0.882 . . . . 0.0 109.573 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -67.13 -60.76 2.34 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.14 -0.975 . . . . 0.0 109.598 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 294' ' ' LEU . . . . . 0.478 HD22 ' HA ' ' A' ' 295' ' ' ALA . 12.7 mt -54.07 -39.32 66.19 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.27 -0.894 . . . . 0.0 109.631 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 295' ' ' ALA . . . . . 0.504 ' HA ' HD22 ' A' ' 294' ' ' LEU . . . -57.81 -47.44 82.59 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.11 -0.994 . . . . 0.0 109.588 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 28.1 t -58.81 -59.64 5.11 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.25 -0.906 . . . . 0.0 109.667 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 45.3 m -51.0 -25.59 4.92 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.258 -0.901 . . . . 0.0 109.745 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 298' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' B' ' 295' ' ' ALA . . . -69.98 -57.74 4.66 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.21 -0.931 . . . . 0.0 109.936 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 299' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' B' ' 300' ' ' MET . 30.2 p30 -62.59 -18.45 62.17 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.186 -0.946 . . . . 0.0 110.12 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 300' ' ' MET . . . . . 0.503 ' O ' ' HG2' ' B' ' 303' ' ' GLU . 1.2 mmt -79.59 -41.05 27.95 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.058 -1.026 . . . . 0.0 109.82 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 301' ' ' LEU . . . . . 0.897 ' O ' HG23 ' B' ' 305' ' ' VAL . 70.5 mt -73.13 -29.91 63.23 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.163 -0.96 . . . . 0.0 109.468 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.12 -48.8 27.12 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.223 -0.923 . . . . 0.0 109.573 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 303' ' ' GLU . . . . . 0.539 ' HG3' ' N ' ' B' ' 304' ' ' GLN . 12.4 pt-20 -58.55 -39.8 81.26 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.274 -0.891 . . . . 0.0 109.694 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 304' ' ' GLN . . . . . 0.539 ' N ' ' HG3' ' B' ' 303' ' ' GLU . 4.2 pt20 -71.08 -31.35 67.71 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.151 -0.968 . . . . 0.0 109.644 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 305' ' ' VAL . . . . . 0.897 HG23 ' O ' ' B' ' 301' ' ' LEU . 54.4 t -64.6 -40.97 90.89 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 O-C-N 121.101 -0.999 . . . . 0.0 109.031 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.19 80.7 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.319 -0.863 . . . . 0.0 109.185 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 307' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -61.28 -38.38 86.55 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.329 -0.857 . . . . 0.0 109.029 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 308' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.304 -1.37 0 O-C-N 121.348 -0.845 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.091 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -15.5 54.68 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.171 -1.194 . . . . 0.0 109.446 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 277' ' ' ILE . . . . . . . . . . . . . 20.7 mt -78.41 -48.49 22.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 121.273 -0.892 . . . . 0.0 109.356 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . -48.26 -40.14 23.73 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.15 -0.969 . . . . 0.0 109.427 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -51.94 9.93 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.228 -0.92 . . . . 0.0 109.542 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . 0.501 HD12 ' HB3' ' B' ' 280' ' ' LEU . 1.6 mm? -47.81 -40.69 21.74 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.181 -0.949 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -71.95 -40.07 68.96 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.274 -0.891 . . . . 0.0 109.139 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.07 -38.15 64.99 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.224 -0.923 . . . . 0.0 108.96 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -58.07 4.23 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.341 -0.849 . . . . 0.0 109.025 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 284' ' ' VAL . . . . . 0.725 HG12 ' HE2' ' A' ' 288' ' ' LYS . 43.5 t -46.84 -28.5 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.401 -0.812 . . . . 0.0 109.059 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.18 -49.57 34.53 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.37 -0.831 . . . . 0.0 108.952 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -47.76 69.74 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.335 -0.853 . . . . 0.0 108.952 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 287' ' ' LEU . . . . . . . . . . . . . 4.0 mt -57.13 -46.87 82.31 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.26 -0.9 . . . . 0.0 109.39 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 288' ' ' LYS . . . . . 0.725 ' HE2' HG12 ' A' ' 284' ' ' VAL . 0.0 OUTLIER -50.27 -52.39 36.75 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.252 -0.905 . . . . 0.0 109.042 179.811 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 289' ' ' ALA . . . . . . . . . . . . . . . -50.14 -64.72 0.72 Allowed 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.337 -0.852 . . . . 0.0 109.264 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 290' ' ' GLN . . . . . 0.434 ' HA ' ' OE1' ' A' ' 293' ' ' GLU . 2.0 mt-30 -48.59 -36.08 14.89 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.285 -0.884 . . . . 0.0 109.296 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -59.16 -66.27 0.53 Allowed 'General case' 0 C--N 1.307 -1.264 0 O-C-N 121.29 -0.881 . . . . 0.0 109.325 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 12.8 p -49.9 -43.97 49.84 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.211 -0.931 . . . . 0.0 109.408 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . 0.434 ' OE1' ' HA ' ' A' ' 290' ' ' GLN . 15.0 mt-10 -54.46 -69.81 0.12 Allowed 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.347 -0.845 . . . . 0.0 109.376 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' B' ' 295' ' ' ALA . 2.9 mt -44.84 -55.11 5.68 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.345 -0.847 . . . . 0.0 109.682 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 295' ' ' ALA . . . . . 0.406 ' HA ' HD22 ' B' ' 294' ' ' LEU . . . -47.92 -39.67 19.71 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.201 -0.937 . . . . 0.0 109.838 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 6.1 m -62.49 -60.16 3.93 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.199 -0.938 . . . . 0.0 109.514 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 4.7 m -47.16 -44.5 21.94 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.186 -0.946 . . . . 0.0 109.439 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 298' ' ' ALA . . . . . . . . . . . . . . . -65.27 -36.67 84.82 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.144 -0.972 . . . . 0.0 109.396 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -60.44 -54.79 41.38 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.323 -0.861 . . . . 0.0 109.375 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 300' ' ' MET . . . . . 0.515 ' O ' ' N ' ' A' ' 303' ' ' GLU . 0.2 OUTLIER -57.45 -51.78 68.03 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.2 -0.937 . . . . 0.0 109.193 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.788 HD13 ' HB3' ' B' ' 301' ' ' LEU . 16.0 mt -46.57 -37.77 8.53 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.206 -0.934 . . . . 0.0 108.89 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -75.33 -24.36 57.37 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.361 -0.837 . . . . 0.0 109.504 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 300' ' ' MET . 5.3 tp10 -72.37 -45.14 61.12 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.241 -0.912 . . . . 0.0 109.151 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 304' ' ' GLN . . . . . 0.611 ' OE1' HD23 ' A' ' 301' ' ' LEU . 0.9 OUTLIER -73.91 -28.36 61.5 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.267 -0.896 . . . . 0.0 109.212 179.793 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 305' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 301' ' ' LEU . 51.4 t -73.74 -41.21 54.57 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 O-C-N 121.248 -0.908 . . . . 0.0 109.182 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.91 72.99 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.335 -0.853 . . . . 0.0 109.244 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 307' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 304' ' ' GLN . 0.0 OUTLIER -65.28 -29.95 70.77 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.192 -0.943 . . . . 0.0 109.067 179.762 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.451 ' N ' ' OE1' ' A' ' 307' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.304 -1.385 0 O-C-N 121.278 -0.889 . . . . 0.0 109.128 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -1.013 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.05 -15.76 55.17 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.291 -1.123 . . . . 0.0 109.513 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 277' ' ' ILE . . . . . . . . . . . . . 21.2 mt -78.34 -48.47 22.68 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.211 -0.93 . . . . 0.0 109.355 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 278' ' ' ALA . . . . . . . . . . . . . . . -48.41 -39.83 23.88 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.147 -0.971 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -51.56 10.45 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.183 -0.948 . . . . 0.0 109.42 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 280' ' ' LEU . . . . . 0.501 ' HB3' HD12 ' A' ' 280' ' ' LEU . 1.5 mm? -48.26 -40.63 25.3 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.186 -0.946 . . . . 0.0 109.374 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -71.85 -39.96 69.34 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.229 -0.92 . . . . 0.0 109.225 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.28 -38.26 65.67 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.262 -0.899 . . . . 0.0 108.929 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -58.08 4.28 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.414 -0.804 . . . . 0.0 109.047 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 284' ' ' VAL . . . . . 0.71 HG12 ' HE2' ' B' ' 288' ' ' LYS . 43.3 t -46.76 -28.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 O-C-N 121.348 -0.845 . . . . 0.0 109.12 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.07 -50.01 31.82 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.265 -0.897 . . . . 0.0 109.054 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 286' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -47.89 67.87 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.213 -0.929 . . . . 0.0 109.015 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 287' ' ' LEU . . . . . . . . . . . . . 4.0 mt -57.3 -46.8 82.8 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.388 -0.82 . . . . 0.0 109.294 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 288' ' ' LYS . . . . . 0.71 ' HE2' HG12 ' B' ' 284' ' ' VAL . 0.0 OUTLIER -50.16 -52.32 36.32 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.248 -0.908 . . . . 0.0 109.011 179.747 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 289' ' ' ALA . . . . . . . . . . . . . . . -50.36 -65.48 0.55 Allowed 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.338 -0.851 . . . . 0.0 109.294 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 290' ' ' GLN . . . . . 0.439 ' HA ' ' OE1' ' B' ' 293' ' ' GLU . 2.0 mt-30 -48.21 -35.72 12.4 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.29 -0.881 . . . . 0.0 109.284 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -59.94 -64.79 0.82 Allowed 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.351 -0.843 . . . . 0.0 109.358 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 12.3 p -51.35 -43.68 61.87 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.125 -0.985 . . . . 0.0 109.21 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 293' ' ' GLU . . . . . 0.439 ' OE1' ' HA ' ' B' ' 290' ' ' GLN . 15.0 mt-10 -54.48 -69.49 0.13 Allowed 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.303 -0.873 . . . . 0.0 109.417 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 294' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 295' ' ' ALA . 2.9 mt -44.93 -54.62 6.29 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.343 -0.848 . . . . 0.0 109.66 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 295' ' ' ALA . . . . . 0.438 ' HA ' HD22 ' A' ' 294' ' ' LEU . . . -48.16 -39.61 21.32 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.322 -0.861 . . . . 0.0 109.835 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 5.8 m -62.72 -60.1 3.97 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.085 -1.01 . . . . 0.0 109.58 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 4.3 m -47.25 -44.16 22.66 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.184 -0.947 . . . . 0.0 109.414 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.52 83.83 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.286 -0.884 . . . . 0.0 109.239 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -60.53 -55.27 35.49 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.242 -0.911 . . . . 0.0 109.354 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 300' ' ' MET . . . . . 0.514 ' O ' ' N ' ' B' ' 303' ' ' GLU . 0.2 OUTLIER -57.04 -51.58 68.7 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.214 -0.928 . . . . 0.0 109.164 179.796 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 301' ' ' LEU . . . . . 0.788 ' HB3' HD13 ' A' ' 301' ' ' LEU . 15.9 mt -46.56 -37.81 8.56 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.107 -0.996 . . . . 0.0 109.044 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -75.38 -24.04 57.17 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.302 -0.874 . . . . 0.0 109.448 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 303' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' B' ' 300' ' ' MET . 5.3 tp10 -72.66 -45.03 60.96 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.307 -0.87 . . . . 0.0 109.085 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 304' ' ' GLN . . . . . 0.609 ' OE1' HD23 ' B' ' 301' ' ' LEU . 0.9 OUTLIER -74.07 -28.17 61.26 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.326 -0.859 . . . . 0.0 109.243 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 305' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 301' ' ' LEU . 53.6 t -73.82 -41.41 53.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.249 -0.907 . . . . 0.0 109.174 179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -62.81 -49.94 72.95 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.348 -0.845 . . . . 0.0 109.227 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 307' ' ' GLN . . . . . 0.465 ' HG3' ' O ' ' B' ' 304' ' ' GLN . 0.0 OUTLIER -65.2 -30.01 70.87 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.209 -0.932 . . . . 0.0 109.096 179.679 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 308' ' ' LEU . . . . . 0.447 ' N ' ' OE1' ' B' ' 307' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.305 -1.358 0 O-C-N 121.324 -0.86 . . . . 0.0 109.003 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.051 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -93.72 -27.46 16.5 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.209 -1.171 . . . . 0.0 109.365 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 277' ' ' ILE . . . . . 0.757 HG22 HG22 ' B' ' 277' ' ' ILE . 2.1 pp -65.52 -49.59 77.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 O-C-N 121.352 -0.843 . . . . 0.0 109.958 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 278' ' ' ALA . . . . . 0.737 ' N ' HD12 ' A' ' 277' ' ' ILE . . . -62.78 -25.54 68.28 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.145 -0.972 . . . . 0.0 109.367 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 279' ' ' ARG . . . . . 0.423 ' HD3' ' HA ' ' A' ' 279' ' ' ARG . 15.0 mmt180 -70.35 -65.19 0.76 Allowed 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.191 -0.943 . . . . 0.0 109.176 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.38 -22.12 4.31 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.234 -0.916 . . . . 0.0 108.92 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . 0.437 ' HA ' ' OE1' ' A' ' 281' ' ' GLU . 4.5 mm-40 -68.16 -53.38 25.52 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.431 -0.793 . . . . 0.0 109.098 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -56.66 -33.23 66.15 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.155 -0.966 . . . . 0.0 108.813 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -65.58 -42.12 92.12 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.36 -0.838 . . . . 0.0 108.997 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 284' ' ' VAL . . . . . 0.889 HG22 HG22 ' B' ' 284' ' ' VAL . 53.3 t -61.51 -30.51 48.3 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 O-C-N 121.388 -0.82 . . . . 0.0 108.913 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -66.14 -54.71 22.14 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.255 -0.903 . . . . 0.0 109.386 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.58 -46.61 63.56 Favored 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.147 -0.971 . . . . 0.0 109.014 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 287' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.16 -46.94 65.68 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 121.218 -0.926 . . . . 0.0 108.847 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 288' ' ' LYS . . . . . 0.429 ' HD3' ' O ' ' A' ' 284' ' ' VAL . 1.5 mptp? -53.64 -42.33 67.7 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.401 -0.812 . . . . 0.0 109.066 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 289' ' ' ALA . . . . . . . . . . . . . . . -54.76 -58.07 9.0 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.282 -0.886 . . . . 0.0 109.597 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 290' ' ' GLN . . . . . 0.426 ' O ' ' HB2' ' A' ' 293' ' ' GLU . 34.6 mt-30 -50.14 -35.73 27.1 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.411 -0.806 . . . . 0.0 109.84 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -60.44 -49.36 77.87 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.138 -0.976 . . . . 0.0 109.163 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.12 -30.56 70.45 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.098 -1.001 . . . . 0.0 109.008 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 293' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 290' ' ' GLN . 12.4 mt-10 -61.27 -61.25 2.69 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.299 -0.876 . . . . 0.0 109.25 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.02 -28.04 62.14 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.324 -0.86 . . . . 0.0 109.494 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -61.24 -46.81 88.84 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.28 -0.887 . . . . 0.0 109.556 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -43.16 91.91 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.289 -0.882 . . . . 0.0 109.511 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 67.7 m -54.33 -42.01 69.7 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.188 -0.945 . . . . 0.0 109.719 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 298' ' ' ALA . . . . . . . . . . . . . . . -63.02 -55.25 27.28 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.294 -0.879 . . . . 0.0 109.678 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -57.3 -19.25 20.86 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.074 -1.016 . . . . 0.0 109.523 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 300' ' ' MET . . . . . 0.506 ' O ' ' CG ' ' A' ' 303' ' ' GLU . 0.0 OUTLIER -75.25 -61.85 1.76 Allowed 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.25 -0.906 . . . . 0.0 109.256 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 301' ' ' LEU . . . . . 0.581 HD23 ' OE1' ' A' ' 304' ' ' GLN . 4.7 mt -59.41 -19.33 46.34 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.235 -0.916 . . . . 0.0 109.198 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -79.02 -38.97 35.26 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.179 -0.951 . . . . 0.0 109.958 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 303' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 300' ' ' MET . 7.8 pt-20 -69.93 -32.39 70.64 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.18 -0.95 . . . . 0.0 109.487 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 304' ' ' GLN . . . . . 0.581 ' OE1' HD23 ' A' ' 301' ' ' LEU . 13.4 pt20 -75.82 -39.66 56.37 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.179 -0.951 . . . . 0.0 109.52 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 305' ' ' VAL . . . . . 0.547 ' N ' ' HG3' ' A' ' 304' ' ' GLN . 53.5 t -71.1 -26.82 27.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 O-C-N 121.205 -0.935 . . . . 0.0 109.357 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -71.81 -51.37 22.86 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.183 -0.948 . . . . 0.0 108.969 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 307' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 303' ' ' GLU . 2.6 pt20 -66.69 -22.35 66.08 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.376 -0.827 . . . . 0.0 109.099 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 304' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.305 -1.338 0 O-C-N 121.344 -0.848 . . . . 0.0 109.419 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -1.123 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -94.75 -27.38 15.83 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.36 -1.083 . . . . 0.0 109.372 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 277' ' ' ILE . . . . . 0.757 HG22 HG22 ' A' ' 277' ' ' ILE . 2.2 pp -65.62 -49.23 79.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 O-C-N 121.228 -0.92 . . . . 0.0 110.051 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 278' ' ' ALA . . . . . 0.734 ' N ' HD12 ' B' ' 277' ' ' ILE . . . -62.84 -25.84 68.47 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.071 -1.018 . . . . 0.0 109.215 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 279' ' ' ARG . . . . . 0.421 ' HD3' ' HA ' ' B' ' 279' ' ' ARG . 15.0 mmt180 -70.12 -65.51 0.71 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.227 -0.921 . . . . 0.0 109.136 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 280' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.02 -22.32 3.93 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.224 -0.922 . . . . 0.0 108.921 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 281' ' ' GLU . . . . . 0.435 ' HA ' ' OE1' ' B' ' 281' ' ' GLU . 4.4 mm-40 -68.01 -53.79 23.26 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.452 -0.78 . . . . 0.0 109.153 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -56.27 -33.13 65.19 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.194 -0.941 . . . . 0.0 108.877 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -65.69 -42.05 91.66 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.357 -0.84 . . . . 0.0 108.928 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 284' ' ' VAL . . . . . 0.889 HG22 HG22 ' A' ' 284' ' ' VAL . 54.7 t -61.42 -30.6 48.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.331 -0.855 . . . . 0.0 108.792 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -66.15 -55.45 16.31 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.472 -0.768 . . . . 0.0 109.272 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 286' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.85 -46.61 60.22 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.201 -0.937 . . . . 0.0 109.039 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 287' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.08 -46.95 65.39 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.368 -0.833 . . . . 0.0 108.76 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 288' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' B' ' 284' ' ' VAL . 1.5 mptp? -53.87 -42.35 68.5 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.347 -0.846 . . . . 0.0 109.064 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 289' ' ' ALA . . . . . . . . . . . . . . . -54.26 -58.01 9.02 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.376 -0.828 . . . . 0.0 109.558 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 290' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -51.11 -33.29 25.77 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.445 -0.784 . . . . 0.0 109.732 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -61.59 -47.59 84.78 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.23 -0.919 . . . . 0.0 109.264 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.05 -30.39 71.47 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.284 -0.885 . . . . 0.0 109.31 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -60.99 -61.66 2.42 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.283 -0.886 . . . . 0.0 109.302 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 294' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' B' ' 294' ' ' LEU . 97.6 mt -56.73 -28.24 60.7 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.345 -0.847 . . . . 0.0 109.491 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -60.99 -47.12 87.95 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.334 -0.854 . . . . 0.0 109.523 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.11 -43.79 90.85 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.228 -0.92 . . . . 0.0 109.513 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 66.4 m -53.56 -42.04 67.12 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.273 -0.892 . . . . 0.0 109.668 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -63.08 -55.62 23.92 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.16 -0.962 . . . . 0.0 109.582 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -56.96 -19.04 15.89 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.254 -0.904 . . . . 0.0 109.613 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 300' ' ' MET . . . . . 0.502 ' O ' ' CG ' ' B' ' 303' ' ' GLU . 0.0 OUTLIER -75.18 -61.91 1.74 Allowed 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.158 -0.964 . . . . 0.0 109.317 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 301' ' ' LEU . . . . . 0.563 HD23 ' OE1' ' B' ' 304' ' ' GLN . 4.5 mt -59.5 -19.15 45.95 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.201 -0.937 . . . . 0.0 109.147 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -79.05 -38.93 35.23 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.252 -0.905 . . . . 0.0 109.824 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 303' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' B' ' 300' ' ' MET . 8.0 pt-20 -70.02 -32.38 70.51 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.073 -1.017 . . . . 0.0 109.524 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 304' ' ' GLN . . . . . 0.563 ' OE1' HD23 ' B' ' 301' ' ' LEU . 13.6 pt20 -75.89 -39.78 55.75 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.262 -0.899 . . . . 0.0 109.383 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 305' ' ' VAL . . . . . 0.534 ' N ' ' HG3' ' B' ' 304' ' ' GLN . 53.2 t -70.83 -26.89 28.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.367 -0.833 . . . . 0.0 109.349 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -71.79 -51.35 23.02 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.285 -0.884 . . . . 0.0 109.1 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 307' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' B' ' 303' ' ' GLU . 2.7 pt20 -66.7 -22.28 66.07 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.159 -0.963 . . . . 0.0 109.123 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 308' ' ' LEU . . . . . 0.505 HD12 ' O ' ' B' ' 304' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.304 -1.38 0 O-C-N 121.414 -0.804 . . . . 0.0 109.433 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.796 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 273' ' ' CYS . . . . . . . . . . . . . 61.5 m -58.58 162.93 3.49 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.329 -0.857 . . . . 0.0 109.462 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 274' ' ' GLY . . . . . . . . . . . . . . . -178.73 71.5 0.07 OUTLIER Glycine 0 C--N 1.304 -1.238 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . 179.35 -56.68 0.08 OUTLIER Glycine 0 C--N 1.305 -1.191 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -70.19 -24.94 63.21 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.295 -1.12 . . . . 0.0 109.584 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 277' ' ' ILE . . . . . 0.634 ' H ' HD12 ' A' ' 277' ' ' ILE . 5.1 mp -71.71 -62.49 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 O-C-N 121.27 -0.894 . . . . 0.0 109.466 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' A' ' 281' ' ' GLU . . . -47.64 -41.94 23.31 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.37 -0.831 . . . . 0.0 109.565 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -58.26 9.4 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 121.138 -0.976 . . . . 0.0 109.407 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 13.4 mt -47.97 -28.47 2.76 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.138 -0.976 . . . . 0.0 109.416 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 278' ' ' ALA . 0.5 OUTLIER -70.78 -52.61 19.56 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.287 -0.883 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -52.85 -36.5 59.02 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.254 -0.904 . . . . 0.0 109.066 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.35 -46.73 75.77 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.397 -0.814 . . . . 0.0 109.214 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 284' ' ' VAL . . . . . 0.542 HG22 HG22 ' B' ' 284' ' ' VAL . 78.4 t -61.63 -19.2 20.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.299 -0.876 . . . . 0.0 109.143 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -77.72 -47.61 18.69 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.293 -0.879 . . . . 0.0 109.281 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . 3.5 m -64.66 -31.7 73.04 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.252 -0.905 . . . . 0.0 109.403 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 287' ' ' LEU . . . . . 0.522 ' CD1' HG13 ' B' ' 284' ' ' VAL . 56.1 mt -69.84 -51.73 30.97 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.321 -0.862 . . . . 0.0 109.53 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -34.19 70.24 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.217 -0.927 . . . . 0.0 109.427 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 289' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 290' ' ' GLN . . . -64.24 -68.15 0.37 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.285 -0.885 . . . . 0.0 109.601 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 290' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 289' ' ' ALA . 10.0 mt-30 -43.77 -36.84 2.44 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.504 -0.748 . . . . 0.0 109.56 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -58.08 -52.12 66.87 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.311 -0.868 . . . . 0.0 109.352 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 27.4 m -61.77 -23.75 66.39 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 121.256 -0.902 . . . . 0.0 109.373 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.21 -68.34 0.41 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.23 -0.919 . . . . 0.0 109.462 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . 0.718 HD22 ' HA ' ' B' ' 295' ' ' ALA . 1.8 mt -56.02 -19.3 12.13 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.204 -0.935 . . . . 0.0 109.692 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 295' ' ' ALA . . . . . 0.701 ' HA ' HD22 ' B' ' 294' ' ' LEU . . . -71.96 -49.97 32.89 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.083 -1.011 . . . . 0.0 109.315 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.48 -35.79 82.07 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.215 -0.928 . . . . 0.0 109.276 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 9.3 m -60.59 -51.31 69.95 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.378 -0.826 . . . . 0.0 109.215 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 298' ' ' ALA . . . . . 0.412 ' HA ' HD12 ' A' ' 301' ' ' LEU . . . -61.96 -28.99 69.94 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.232 -0.918 . . . . 0.0 109.293 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -68.52 -34.49 75.97 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.213 -0.929 . . . . 0.0 109.375 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -43.76 58.79 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.196 -0.94 . . . . 0.0 109.464 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 305' ' ' VAL . 2.9 mt -68.73 -20.54 64.39 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.375 -0.828 . . . . 0.0 109.541 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 20.6 mtt180 -78.68 -53.77 6.8 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.217 -0.927 . . . . 0.0 109.512 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 307' ' ' GLN . 14.5 pt-20 -60.34 -36.71 78.6 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.263 -0.898 . . . . 0.0 109.725 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 304' ' ' GLN . . . . . 0.53 ' HG3' ' N ' ' A' ' 305' ' ' VAL . 3.0 pt20 -73.6 -41.32 63.02 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.065 -1.022 . . . . 0.0 109.663 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 305' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 301' ' ' LEU . 55.8 t -69.63 -16.15 20.15 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 O-C-N 121.256 -0.902 . . . . 0.0 109.11 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 306' ' ' ALA . . . . . 0.469 ' O ' ' HG2' ' A' ' 310' ' ' GLN . . . -81.47 -48.86 11.31 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.356 -0.84 . . . . 0.0 109.196 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 307' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 303' ' ' GLU . 33.9 mt-30 -63.64 -36.92 85.41 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.239 -0.913 . . . . 0.0 109.01 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.64 -47.01 64.88 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.34 -0.85 . . . . 0.0 109.23 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -51.95 -45.53 64.41 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.354 -0.841 . . . . 0.0 109.36 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 310' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 306' ' ' ALA . 27.3 mm100 -59.2 -41.86 89.54 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.403 -0.811 . . . . 0.0 109.538 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 311' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -29.34 70.62 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.159 -0.963 . . . . 0.0 109.515 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 312' ' ' VAL . . . . . . . . . . . . . 70.8 t -78.51 -22.82 13.21 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 O-C-N 121.229 -0.92 . . . . 0.0 109.472 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 313' ' ' MET . . . . . . . . . . . . . 3.3 mmt -67.75 92.69 0.35 Allowed 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.228 -0.92 . . . . 0.0 109.344 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 314' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -176.46 51.21 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.304 -0.873 . . . . 0.0 109.476 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 315' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--N 1.305 -1.326 0 CA-C-O 117.968 -1.015 . . . . 0.0 109.402 -179.623 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.797 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 273' ' ' CYS . . . . . . . . . . . . . 61.3 m -59.38 162.66 4.57 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.303 -0.873 . . . . 0.0 109.578 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -178.3 71.79 0.07 OUTLIER Glycine 0 C--N 1.305 -1.148 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . 178.81 -56.9 0.09 OUTLIER Glycine 0 C--N 1.306 -1.103 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -69.95 -24.52 63.36 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.241 -1.152 . . . . 0.0 109.632 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 277' ' ' ILE . . . . . 0.634 HD12 ' H ' ' B' ' 277' ' ' ILE . 5.1 mp -72.22 -62.65 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 O-C-N 121.142 -0.974 . . . . 0.0 109.437 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 278' ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' B' ' 281' ' ' GLU . . . -47.66 -41.84 23.23 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.269 -0.894 . . . . 0.0 109.581 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -58.13 9.96 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.246 -0.909 . . . . 0.0 109.437 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 280' ' ' LEU . . . . . . . . . . . . . 13.6 mt -48.15 -28.43 2.95 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.152 -0.967 . . . . 0.0 109.351 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 281' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' B' ' 278' ' ' ALA . 0.5 OUTLIER -70.69 -52.94 17.77 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.298 -0.877 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -52.45 -36.68 55.26 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.158 -0.964 . . . . 0.0 109.061 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.13 -46.92 75.83 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.407 -0.808 . . . . 0.0 109.264 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 284' ' ' VAL . . . . . 0.542 HG22 HG22 ' A' ' 284' ' ' VAL . 79.0 t -61.64 -18.93 19.92 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 O-C-N 121.275 -0.89 . . . . 0.0 109.238 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -77.97 -47.4 18.65 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.327 -0.858 . . . . 0.0 109.368 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 286' ' ' THR . . . . . . . . . . . . . 3.5 m -64.74 -32.22 73.8 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.299 -0.876 . . . . 0.0 109.372 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 287' ' ' LEU . . . . . 0.52 ' CD1' HG13 ' A' ' 284' ' ' VAL . 55.2 mt -69.41 -51.71 33.82 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.238 -0.913 . . . . 0.0 109.518 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -33.87 70.11 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.215 -0.928 . . . . 0.0 109.5 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 289' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' B' ' 290' ' ' GLN . . . -64.51 -68.22 0.37 Allowed 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.25 -0.906 . . . . 0.0 109.676 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 290' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' B' ' 289' ' ' ALA . 9.6 mt-30 -43.67 -34.45 1.48 Allowed 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.512 -0.742 . . . . 0.0 109.61 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -60.01 -54.35 47.12 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.356 -0.84 . . . . 0.0 109.184 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 21.9 m -59.35 -23.16 62.3 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.32 -0.862 . . . . 0.0 109.341 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -70.15 -68.62 0.41 Allowed 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.29 -0.881 . . . . 0.0 109.535 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 294' ' ' LEU . . . . . 0.701 HD22 ' HA ' ' A' ' 295' ' ' ALA . 1.9 mt -56.11 -18.93 11.19 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.307 -0.871 . . . . 0.0 109.683 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 295' ' ' ALA . . . . . 0.718 ' HA ' HD22 ' A' ' 294' ' ' LEU . . . -72.29 -49.92 31.02 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.164 -0.96 . . . . 0.0 109.376 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -36.16 83.3 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.181 -0.949 . . . . 0.0 109.205 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 9.5 m -60.21 -51.67 68.59 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.242 -0.911 . . . . 0.0 109.246 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 298' ' ' ALA . . . . . 0.429 ' HA ' HD12 ' B' ' 301' ' ' LEU . . . -61.71 -29.18 69.93 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.238 -0.914 . . . . 0.0 109.307 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -68.37 -34.56 76.28 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.313 -0.867 . . . . 0.0 109.39 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 300' ' ' MET . . . . . 0.405 ' O ' ' HG2' ' B' ' 303' ' ' GLU . 0.0 OUTLIER -73.49 -43.51 59.98 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.311 -0.868 . . . . 0.0 109.464 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 301' ' ' LEU . . . . . 0.611 ' O ' HG23 ' B' ' 305' ' ' VAL . 2.8 mt -69.24 -20.3 63.94 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.328 -0.857 . . . . 0.0 109.544 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -78.83 -53.01 7.53 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.31 -0.869 . . . . 0.0 109.488 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 303' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' B' ' 307' ' ' GLN . 14.5 pt-20 -60.98 -36.78 80.34 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.262 -0.899 . . . . 0.0 109.735 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 304' ' ' GLN . . . . . 0.506 ' HG3' ' N ' ' B' ' 305' ' ' VAL . 3.0 pt20 -73.62 -41.1 63.24 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.165 -0.96 . . . . 0.0 109.664 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 305' ' ' VAL . . . . . 0.611 HG23 ' O ' ' B' ' 301' ' ' LEU . 54.7 t -69.72 -16.29 20.24 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 121.239 -0.913 . . . . 0.0 109.167 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' B' ' 310' ' ' GLN . . . -81.54 -48.62 11.57 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.331 -0.855 . . . . 0.0 109.294 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 307' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' B' ' 303' ' ' GLU . 33.9 mt-30 -63.81 -37.08 86.06 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.206 -0.934 . . . . 0.0 108.934 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 308' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.48 -46.44 66.62 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.401 -0.812 . . . . 0.0 109.198 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 309' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -52.41 -45.74 66.02 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.295 -0.878 . . . . 0.0 109.344 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 310' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' B' ' 306' ' ' ALA . 26.5 mm100 -59.09 -41.9 89.16 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.314 -0.866 . . . . 0.0 109.614 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 311' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -29.24 70.58 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.224 -0.923 . . . . 0.0 109.513 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 312' ' ' VAL . . . . . . . . . . . . . 72.5 t -78.62 -23.1 13.12 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 O-C-N 121.246 -0.908 . . . . 0.0 109.446 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 3.3 mmt -67.42 92.28 0.29 Allowed 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.201 -0.937 . . . . 0.0 109.389 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 314' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -176.1 51.46 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.247 -0.908 . . . . 0.0 109.467 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 315' ' ' TYR . . . . . . . . . . . . . 22.6 t80 . . . . . 0 C--N 1.305 -1.339 0 CA-C-O 118.012 -0.994 . . . . 0.0 109.388 -179.86 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.733 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 273' ' ' CYS . . . . . 0.491 ' SG ' HD11 ' A' ' 277' ' ' ILE . 0.1 OUTLIER -131.92 96.21 3.87 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.265 -0.897 . . . . 0.0 109.421 . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 274' ' ' GLY . . . . . 0.487 ' N ' HD12 ' A' ' 277' ' ' ILE . . . 159.18 -29.99 0.42 Allowed Glycine 0 C--N 1.306 -1.1 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . -104.83 -22.67 8.26 Favored Glycine 0 C--N 1.305 -1.168 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 276' ' ' ARG . . . . . 0.413 ' NH2' ' HG2' ' A' ' 276' ' ' ARG . 0.0 OUTLIER -90.48 -22.55 21.32 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.168 -1.195 . . . . 0.0 109.354 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 277' ' ' ILE . . . . . 0.491 HD11 ' SG ' ' A' ' 273' ' ' CYS . 4.6 mt -72.49 -35.5 51.5 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 121.268 -0.895 . . . . 0.0 109.452 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . -61.31 -48.84 79.53 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.174 -0.954 . . . . 0.0 109.222 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -63.32 -47.1 83.64 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.328 -0.858 . . . . 0.0 109.412 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 5.1 mt -54.04 -45.81 71.72 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.347 -0.845 . . . . 0.0 109.721 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.36 -48.98 78.83 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.175 -0.953 . . . . 0.0 109.549 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.69 -29.63 69.44 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.227 -0.921 . . . . 0.0 109.127 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.66 -49.22 41.84 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.311 -0.868 . . . . 0.0 109.543 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 284' ' ' VAL . . . . . 0.584 HG22 HG22 ' B' ' 284' ' ' VAL . 98.5 t -60.53 -27.26 39.87 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.26 -0.9 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -52.27 22.56 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.208 -0.932 . . . . 0.0 109.289 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . 0.535 ' O ' ' HB3' ' A' ' 289' ' ' ALA . 0.0 OUTLIER -55.24 -47.15 75.81 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.27 -0.894 . . . . 0.0 109.336 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 287' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.25 -55.72 19.43 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.285 -0.885 . . . . 0.0 109.134 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.49 -37.92 41.3 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.217 -0.927 . . . . 0.0 109.184 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 289' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 286' ' ' THR . . . -55.17 -64.08 0.95 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.32 -0.862 . . . . 0.0 109.373 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 290' ' ' GLN . . . . . 0.454 ' HA ' ' HB2' ' A' ' 293' ' ' GLU . 27.9 mt-30 -48.23 -41.99 29.02 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.366 -0.834 . . . . 0.0 109.409 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -52.22 -62.03 1.9 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.38 -0.825 . . . . 0.0 109.609 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.55 -24.92 66.97 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.22 -0.925 . . . . 0.0 109.638 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . 0.454 ' HB2' ' HA ' ' A' ' 290' ' ' GLN . 17.8 mt-10 -70.32 -75.92 0.11 Allowed 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.183 -0.948 . . . . 0.0 109.631 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 1.2 mt -51.42 -46.54 62.97 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.228 -0.92 . . . . 0.0 109.771 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -47.9 -59.09 3.6 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.122 -0.986 . . . . 0.0 109.609 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.64 -48.78 39.4 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.264 -0.898 . . . . 0.0 109.673 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 6.7 m -56.17 -53.62 54.96 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.196 -0.94 . . . . 0.0 109.513 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 298' ' ' ALA . . . . . 0.98 ' HB2' ' HB2' ' B' ' 298' ' ' ALA . . . -57.82 -26.09 61.52 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.228 -0.92 . . . . 0.0 109.463 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -70.8 -50.12 39.08 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.25 -0.906 . . . . 0.0 109.617 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 300' ' ' MET . . . . . 0.443 ' O ' ' HG2' ' A' ' 304' ' ' GLN . 41.2 ttm -64.74 -52.75 55.42 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.248 -0.907 . . . . 0.0 109.68 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 74.4 mt -46.89 -56.8 5.72 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.235 -0.916 . . . . 0.0 109.689 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -37.99 64.97 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.234 -0.916 . . . . 0.0 109.741 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 307' ' ' GLN . 1.7 mm-40 -61.66 -42.6 99.14 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.143 -0.973 . . . . 0.0 109.696 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 304' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 300' ' ' MET . 33.9 mm-40 -65.19 -60.64 2.78 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.132 -0.98 . . . . 0.0 109.143 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 305' ' ' VAL . . . . . 0.823 HG22 HG22 ' B' ' 305' ' ' VAL . 4.5 t -53.5 -24.84 9.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.271 -0.893 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 306' ' ' ALA . . . . . 0.494 ' O ' ' CG ' ' A' ' 310' ' ' GLN . . . -74.92 -45.58 41.61 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.314 -0.866 . . . . 0.0 109.511 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 307' ' ' GLN . . . . . 0.416 ' HG2' ' HA ' ' A' ' 304' ' ' GLN . 3.2 pt20 -76.86 -17.98 58.64 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.334 -0.854 . . . . 0.0 109.388 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 312' ' ' VAL . 0.3 OUTLIER -84.66 -49.59 8.39 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.338 -0.851 . . . . 0.0 109.314 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -70.56 -45.01 66.23 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.247 -0.908 . . . . 0.0 109.316 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 310' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 306' ' ' ALA . 9.4 mm100 -54.27 -41.19 68.56 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.283 -0.886 . . . . 0.0 109.306 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 311' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -60.02 -36.59 77.57 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.263 -0.898 . . . . 0.0 109.686 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 312' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 308' ' ' LEU . 18.0 t -77.67 -46.31 27.45 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 O-C-N 121.268 -0.895 . . . . 0.0 109.66 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 313' ' ' MET . . . . . 0.46 ' O ' ' O ' ' A' ' 314' ' ' ASN . 0.4 OUTLIER -81.38 125.35 30.29 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.196 -0.94 . . . . 0.0 109.53 -179.853 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 314' ' ' ASN . . . . . 0.46 ' O ' ' O ' ' A' ' 313' ' ' MET . 1.6 t-20 56.36 165.18 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.247 -0.908 . . . . 0.0 109.441 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 315' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.307 -1.254 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.414 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.78 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 273' ' ' CYS . . . . . 0.5 ' SG ' HD11 ' B' ' 277' ' ' ILE . 0.1 OUTLIER -131.32 96.05 3.92 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.299 -0.876 . . . . 0.0 109.446 . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 274' ' ' GLY . . . . . 0.486 ' N ' HD12 ' B' ' 277' ' ' ILE . . . 159.51 -30.89 0.42 Allowed Glycine 0 C--N 1.305 -1.163 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . -104.19 -22.72 8.52 Favored Glycine 0 C--N 1.304 -1.211 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 276' ' ' ARG . . . . . 0.405 ' NH2' ' HG2' ' B' ' 276' ' ' ARG . 0.0 OUTLIER -90.12 -23.34 21.39 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.179 -1.189 . . . . 0.0 109.428 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 277' ' ' ILE . . . . . 0.5 HD11 ' SG ' ' B' ' 273' ' ' CYS . 4.7 mt -71.73 -35.45 55.45 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 O-C-N 121.309 -0.869 . . . . 0.0 109.445 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 278' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.01 78.66 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.169 -0.957 . . . . 0.0 109.268 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -63.19 -46.98 84.55 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.259 -0.901 . . . . 0.0 109.418 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 280' ' ' LEU . . . . . . . . . . . . . 5.1 mt -54.23 -45.51 72.32 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.231 -0.918 . . . . 0.0 109.656 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.67 -49.03 78.16 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.167 -0.958 . . . . 0.0 109.504 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -29.35 69.17 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.219 -0.926 . . . . 0.0 109.172 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.94 -49.04 40.96 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.374 -0.829 . . . . 0.0 109.513 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 284' ' ' VAL . . . . . 0.584 HG22 HG22 ' A' ' 284' ' ' VAL . 98.4 t -60.76 -27.92 41.93 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 O-C-N 121.219 -0.925 . . . . 0.0 109.267 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -52.3 25.54 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.264 -0.897 . . . . 0.0 109.295 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 286' ' ' THR . . . . . 0.537 ' O ' ' HB3' ' B' ' 289' ' ' ALA . 0.0 OUTLIER -55.01 -47.78 74.24 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.16 -0.963 . . . . 0.0 109.323 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 287' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.69 -55.72 17.88 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.203 -0.935 . . . . 0.0 109.139 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.66 -37.32 40.16 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.343 -0.848 . . . . 0.0 109.254 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 289' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' B' ' 286' ' ' THR . . . -55.88 -63.55 1.14 Allowed 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.382 -0.824 . . . . 0.0 109.486 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 290' ' ' GLN . . . . . 0.454 ' HA ' ' HB2' ' B' ' 293' ' ' GLU . 27.5 mt-30 -48.02 -44.12 30.67 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.323 -0.861 . . . . 0.0 109.563 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -51.02 -64.35 0.84 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.224 -0.922 . . . . 0.0 109.633 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.16 -25.78 61.91 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.248 -0.907 . . . . 0.0 109.512 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 293' ' ' GLU . . . . . 0.454 ' HB2' ' HA ' ' B' ' 290' ' ' GLN . 17.8 mt-10 -70.16 -75.43 0.12 Allowed 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.249 -0.907 . . . . 0.0 109.571 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 294' ' ' LEU . . . . . . . . . . . . . 1.2 mt -52.36 -45.91 65.92 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.345 -0.847 . . . . 0.0 109.771 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -48.12 -58.93 3.82 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.131 -0.981 . . . . 0.0 109.537 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.78 -48.86 40.76 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.23 -0.919 . . . . 0.0 109.611 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 6.5 m -55.97 -53.79 52.64 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.214 -0.929 . . . . 0.0 109.457 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 298' ' ' ALA . . . . . 0.98 ' HB2' ' HB2' ' A' ' 298' ' ' ALA . . . -57.56 -26.25 61.15 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.165 -0.959 . . . . 0.0 109.494 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -71.0 -50.17 37.18 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.331 -0.856 . . . . 0.0 109.595 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 300' ' ' MET . . . . . 0.448 ' O ' ' HG2' ' B' ' 304' ' ' GLN . 40.9 ttm -64.65 -52.5 56.98 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.203 -0.936 . . . . 0.0 109.674 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 301' ' ' LEU . . . . . . . . . . . . . 70.9 mt -47.31 -56.75 6.22 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.349 -0.844 . . . . 0.0 109.708 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -37.93 64.63 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.212 -0.93 . . . . 0.0 109.687 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 303' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' B' ' 307' ' ' GLN . 1.7 mm-40 -61.79 -42.73 99.38 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.212 -0.93 . . . . 0.0 109.717 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 304' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' B' ' 300' ' ' MET . 33.4 mm-40 -65.2 -60.54 2.89 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.112 -0.992 . . . . 0.0 109.184 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 305' ' ' VAL . . . . . 0.823 HG22 HG22 ' A' ' 305' ' ' VAL . 4.5 t -53.28 -25.44 10.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 O-C-N 121.285 -0.884 . . . . 0.0 109.388 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . 0.481 ' O ' ' CG ' ' B' ' 310' ' ' GLN . . . -74.38 -46.02 43.07 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.239 -0.913 . . . . 0.0 109.572 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 307' ' ' GLN . . . . . 0.425 ' HG2' ' HA ' ' B' ' 304' ' ' GLN . 3.2 pt20 -76.2 -17.94 59.3 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.251 -0.906 . . . . 0.0 109.392 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 308' ' ' LEU . . . . . 0.471 ' O ' HG23 ' B' ' 312' ' ' VAL . 0.3 OUTLIER -84.94 -49.7 8.12 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.221 -0.924 . . . . 0.0 109.257 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 309' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -70.37 -45.29 66.33 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.38 -0.825 . . . . 0.0 109.304 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 310' ' ' GLN . . . . . 0.481 ' CG ' ' O ' ' B' ' 306' ' ' ALA . 9.1 mm100 -54.02 -40.93 67.48 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.145 -0.972 . . . . 0.0 109.25 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 311' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -60.26 -36.56 78.07 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.256 -0.902 . . . . 0.0 109.583 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 312' ' ' VAL . . . . . 0.471 HG23 ' O ' ' B' ' 308' ' ' LEU . 18.3 t -77.6 -46.77 27.06 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 O-C-N 121.297 -0.877 . . . . 0.0 109.61 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 313' ' ' MET . . . . . 0.454 ' O ' ' O ' ' B' ' 314' ' ' ASN . 0.5 OUTLIER -80.89 125.48 30.16 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.222 -0.924 . . . . 0.0 109.582 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 314' ' ' ASN . . . . . 0.454 ' O ' ' O ' ' B' ' 313' ' ' MET . 1.6 t-20 56.43 165.25 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.247 -0.908 . . . . 0.0 109.411 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 315' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.306 -1.313 0 CA-C-O 118.041 -0.98 . . . . 0.0 109.408 179.895 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.762 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 273' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.26 130.39 55.41 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.162 -0.961 . . . . 0.0 109.504 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 274' ' ' GLY . . . . . . . . . . . . . . . 179.47 117.13 0.53 Allowed Glycine 0 C--N 1.306 -1.128 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . 148.03 -49.05 0.61 Allowed Glycine 0 C--N 1.305 -1.17 0 N-CA-C 109.629 -1.389 . . . . 0.0 109.629 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -33.86 39.69 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.346 -1.09 . . . . 0.0 109.405 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 277' ' ' ILE . . . . . . . . . . . . . 63.2 mt -56.77 -54.48 28.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.322 -0.861 . . . . 0.0 109.665 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . -49.11 -45.61 43.66 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.318 -0.864 . . . . 0.0 109.693 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -62.81 -50.01 72.69 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.228 -0.92 . . . . 0.0 109.711 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . 0.664 HD13 HD13 ' B' ' 280' ' ' LEU . 5.4 mt -57.47 -58.54 7.83 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.25 -0.906 . . . . 0.0 109.6 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.4 -42.93 43.83 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.275 -0.891 . . . . 0.0 109.603 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -59.06 -35.61 73.64 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.257 -0.902 . . . . 0.0 109.397 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -74.45 -48.59 26.55 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.32 -0.863 . . . . 0.0 109.471 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 284' ' ' VAL . . . . . . . . . . . . . 82.0 t -55.26 -33.25 30.3 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 O-C-N 121.327 -0.858 . . . . 0.0 109.455 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -73.39 -53.29 11.08 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.249 -0.907 . . . . 0.0 109.318 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . 0.521 ' O ' ' HB3' ' A' ' 289' ' ' ALA . 91.6 m -51.43 -39.72 57.92 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.208 -0.932 . . . . 0.0 109.126 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 287' ' ' LEU . . . . . 0.51 ' CB ' HD13 ' B' ' 287' ' ' LEU . 9.7 mt -60.64 -60.75 3.31 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.314 -0.866 . . . . 0.0 109.262 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 288' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 287' ' ' LEU . 0.0 OUTLIER -44.87 -29.33 0.78 Allowed 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.466 -0.771 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 289' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 286' ' ' THR . . . -67.81 -59.52 3.24 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.17 -0.957 . . . . 0.0 109.331 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 290' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -50.96 -36.65 39.97 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.41 -0.806 . . . . 0.0 109.552 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -60.72 -53.09 61.6 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.08 -1.012 . . . . 0.0 109.204 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -29.1 68.93 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.262 -0.899 . . . . 0.0 109.235 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -72.43 -70.61 0.33 Allowed 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.235 -0.916 . . . . 0.0 109.593 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' B' ' 295' ' ' ALA . 0.3 OUTLIER -51.69 -27.23 11.08 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.254 -0.904 . . . . 0.0 109.549 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 295' ' ' ALA . . . . . 0.474 ' HA ' HD22 ' B' ' 294' ' ' LEU . . . -64.54 -54.84 25.86 Favored 'General case' 0 C--N 1.305 -1.326 0 O-C-N 121.135 -0.978 . . . . 0.0 109.394 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -41.04 93.92 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.292 -0.88 . . . . 0.0 109.475 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 297' ' ' THR . . . . . 0.461 ' O ' ' HB3' ' A' ' 300' ' ' MET . 23.0 m -57.23 -51.65 68.49 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.16 -0.963 . . . . 0.0 109.569 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 298' ' ' ALA . . . . . . . . . . . . . . . -57.89 -58.27 9.13 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.2 -0.938 . . . . 0.0 109.417 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -46.26 -32.65 3.2 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.244 -0.91 . . . . 0.0 109.325 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 300' ' ' MET . . . . . 0.461 ' HB3' ' O ' ' A' ' 297' ' ' THR . 1.7 ttp -66.64 -59.37 3.66 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.164 -0.96 . . . . 0.0 109.293 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.59 -16.8 51.47 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.295 -0.878 . . . . 0.0 109.448 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 302' ' ' ARG . . . . . 0.442 ' NH1' ' HG2' ' A' ' 302' ' ' ARG . 0.0 OUTLIER -74.9 -48.55 24.16 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.352 -0.842 . . . . 0.0 109.542 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 300' ' ' MET . 5.1 pt-20 -64.52 -37.15 86.53 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.208 -0.933 . . . . 0.0 109.53 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 304' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 307' ' ' GLN . 0.1 OUTLIER -64.0 -61.68 2.12 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.108 -0.995 . . . . 0.0 109.152 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 305' ' ' VAL . . . . . 0.472 HG13 ' HE3' ' A' ' 309' ' ' LYS . 39.6 t -46.51 -35.63 2.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.303 -0.873 . . . . 0.0 109.168 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 306' ' ' ALA . . . . . 0.48 ' O ' ' HG2' ' A' ' 310' ' ' GLN . . . -66.34 -34.84 78.88 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.29 -0.881 . . . . 0.0 109.226 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 307' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 304' ' ' GLN . 2.9 mt-30 -76.29 -53.3 8.42 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.255 -0.903 . . . . 0.0 109.261 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.668 ' HB3' HD22 ' B' ' 308' ' ' LEU . 3.9 mt -53.41 -31.42 45.01 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.391 -0.818 . . . . 0.0 109.452 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 309' ' ' LYS . . . . . 0.472 ' HE3' HG13 ' A' ' 305' ' ' VAL . 0.1 OUTLIER -83.8 -57.79 3.07 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.239 -0.913 . . . . 0.0 109.368 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 310' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 306' ' ' ALA . 28.9 mm100 -46.7 -44.76 18.99 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.121 -0.987 . . . . 0.0 109.092 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 311' ' ' LYS . . . . . 0.492 ' C ' ' CD ' ' A' ' 311' ' ' LYS . 0.1 OUTLIER -49.6 -46.4 49.14 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.367 -0.833 . . . . 0.0 109.184 179.772 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 312' ' ' VAL . . . . . . . . . . . . . 56.2 t -64.58 -39.98 87.46 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 O-C-N 121.29 -0.881 . . . . 0.0 109.26 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 313' ' ' MET . . . . . . . . . . . . . 2.9 tpt -86.1 84.2 7.56 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.311 -0.868 . . . . 0.0 109.441 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 314' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -147.59 91.32 1.95 Allowed 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.178 -0.951 . . . . 0.0 109.447 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 315' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.306 -1.303 0 CA-C-O 117.941 -1.028 . . . . 0.0 109.485 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.68 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 273' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.16 130.16 55.39 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.183 -0.948 . . . . 0.0 109.561 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 179.79 117.24 0.54 Allowed Glycine 0 C--N 1.305 -1.152 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . 148.23 -49.69 0.59 Allowed Glycine 0 C--N 1.305 -1.185 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -34.42 43.85 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.201 -1.176 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 277' ' ' ILE . . . . . 0.401 HD13 HG21 ' B' ' 277' ' ' ILE . 64.2 mt -56.41 -54.22 30.95 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.361 -0.837 . . . . 0.0 109.577 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 278' ' ' ALA . . . . . . . . . . . . . . . -49.22 -45.86 45.08 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.07 -1.019 . . . . 0.0 109.567 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -62.47 -50.38 71.69 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.269 -0.894 . . . . 0.0 109.716 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 280' ' ' LEU . . . . . 0.664 HD13 HD13 ' A' ' 280' ' ' LEU . 5.4 mt -57.12 -58.83 6.46 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.192 -0.942 . . . . 0.0 109.571 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.23 -43.22 42.4 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.223 -0.923 . . . . 0.0 109.597 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -58.91 -35.3 72.84 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.221 -0.925 . . . . 0.0 109.386 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -74.67 -48.72 24.54 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.297 -0.877 . . . . 0.0 109.574 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 284' ' ' VAL . . . . . . . . . . . . . 78.7 t -55.14 -33.12 29.17 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 O-C-N 121.315 -0.865 . . . . 0.0 109.398 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -73.72 -53.47 10.27 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.2 -0.938 . . . . 0.0 109.283 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 286' ' ' THR . . . . . 0.516 ' O ' ' HB3' ' B' ' 289' ' ' ALA . 91.5 m -51.14 -39.53 56.48 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.115 -0.991 . . . . 0.0 109.068 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 287' ' ' LEU . . . . . 0.51 HD13 ' CB ' ' A' ' 287' ' ' LEU . 9.5 mt -60.86 -61.01 2.9 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.431 -0.793 . . . . 0.0 109.201 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 288' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' B' ' 287' ' ' LEU . 0.0 OUTLIER -44.69 -29.36 0.75 Allowed 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.382 -0.824 . . . . 0.0 109.377 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 289' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' B' ' 286' ' ' THR . . . -67.57 -59.69 3.15 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.26 -0.9 . . . . 0.0 109.167 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 290' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -51.33 -36.96 45.22 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.416 -0.803 . . . . 0.0 109.315 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 291' ' ' ASN . . . . . 0.406 ' O ' ' HB2' ' B' ' 295' ' ' ALA . 3.7 m-20 -59.61 -51.56 69.31 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.22 -0.925 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -28.74 70.23 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.271 -0.893 . . . . 0.0 109.34 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -72.23 -70.59 0.33 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.24 -0.912 . . . . 0.0 109.445 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 294' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' A' ' 295' ' ' ALA . 0.3 OUTLIER -51.7 -27.14 10.83 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.265 -0.897 . . . . 0.0 109.628 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 295' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' B' ' 291' ' ' ASN . . . -64.56 -53.92 40.23 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.135 -0.978 . . . . 0.0 109.541 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.6 -40.44 94.8 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.18 -0.95 . . . . 0.0 109.604 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 297' ' ' THR . . . . . 0.456 ' O ' ' HB3' ' B' ' 300' ' ' MET . 21.8 m -57.86 -51.9 67.68 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.156 -0.965 . . . . 0.0 109.58 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 298' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' B' ' 299' ' ' ASN . . . -57.31 -58.32 8.78 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.343 -0.848 . . . . 0.0 109.513 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 299' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' B' ' 298' ' ' ALA . 1.1 m-20 -46.21 -33.05 3.37 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.209 -0.932 . . . . 0.0 109.353 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 300' ' ' MET . . . . . 0.456 ' HB3' ' O ' ' B' ' 297' ' ' THR . 1.8 ttp -66.33 -58.98 4.17 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.281 -0.887 . . . . 0.0 109.365 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 301' ' ' LEU . . . . . 0.416 ' HA ' ' HG3' ' B' ' 304' ' ' GLN . 74.3 mt -61.75 -17.28 55.3 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.264 -0.898 . . . . 0.0 109.441 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 302' ' ' ARG . . . . . 0.436 ' NH1' ' HG2' ' B' ' 302' ' ' ARG . 0.0 OUTLIER -74.39 -48.67 26.39 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.221 -0.924 . . . . 0.0 109.544 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 303' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' B' ' 300' ' ' MET . 5.3 pt-20 -64.31 -37.07 86.21 Favored 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.311 -0.868 . . . . 0.0 109.753 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 304' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' B' ' 307' ' ' GLN . 0.1 OUTLIER -64.16 -61.17 2.42 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.186 -0.946 . . . . 0.0 109.105 179.84 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 305' ' ' VAL . . . . . 0.455 HG13 ' HE3' ' B' ' 309' ' ' LYS . 39.0 t -47.27 -34.78 3.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.439 -0.788 . . . . 0.0 109.266 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' B' ' 310' ' ' GLN . . . -67.33 -34.01 76.46 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.292 -0.88 . . . . 0.0 109.293 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 307' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' B' ' 304' ' ' GLN . 2.9 mt-30 -77.02 -53.08 8.26 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.256 -0.903 . . . . 0.0 109.304 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 308' ' ' LEU . . . . . 0.668 HD22 ' HB3' ' A' ' 308' ' ' LEU . 3.9 mt -53.35 -31.38 44.22 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.399 -0.813 . . . . 0.0 109.433 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 309' ' ' LYS . . . . . 0.455 ' HE3' HG13 ' B' ' 305' ' ' VAL . 0.1 OUTLIER -83.7 -58.23 2.89 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.244 -0.91 . . . . 0.0 109.391 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 310' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' B' ' 306' ' ' ALA . 28.8 mm100 -46.42 -44.38 17.18 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.09 -1.006 . . . . 0.0 109.139 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 311' ' ' LYS . . . . . 0.49 ' CD ' ' C ' ' B' ' 311' ' ' LYS . 0.1 OUTLIER -50.09 -46.23 53.29 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.287 -0.883 . . . . 0.0 109.283 179.735 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 312' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.74 -40.05 87.75 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 O-C-N 121.281 -0.887 . . . . 0.0 109.212 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 2.9 tpt -86.11 84.03 7.6 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.344 -0.848 . . . . 0.0 109.343 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 314' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -147.49 91.03 1.92 Allowed 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.187 -0.945 . . . . 0.0 109.582 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 315' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.308 -1.211 0 CA-C-O 117.933 -1.032 . . . . 0.0 109.557 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.753 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 273' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -167.91 -40.48 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.312 -0.868 . . . . 0.0 109.369 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 274' ' ' GLY . . . . . . . . . . . . . . . -164.18 -141.36 3.11 Favored Glycine 0 C--N 1.304 -1.198 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . -96.84 -27.6 9.45 Favored Glycine 0 C--N 1.303 -1.259 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 276' ' ' ARG . . . . . 0.445 ' O ' HD12 ' A' ' 280' ' ' LEU . 0.6 OUTLIER -62.88 -33.17 74.73 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.248 -1.148 . . . . 0.0 109.409 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 277' ' ' ILE . . . . . 0.663 ' N ' HD12 ' A' ' 277' ' ' ILE . 2.3 mp -71.37 -36.88 62.95 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 O-C-N 121.28 -0.887 . . . . 0.0 108.988 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . -55.56 -59.52 4.71 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.292 -0.88 . . . . 0.0 108.856 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -46.99 80.54 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.298 -0.876 . . . . 0.0 109.177 179.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . 0.74 ' O ' HG23 ' A' ' 284' ' ' VAL . 0.2 OUTLIER -50.22 -44.82 53.43 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.364 -0.835 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.43 -33.69 76.55 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.304 -0.872 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.53 -38.91 77.7 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.28 -0.887 . . . . 0.0 108.701 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -65.95 -35.99 82.11 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.468 -0.77 . . . . 0.0 108.924 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 284' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 280' ' ' LEU . 58.4 t -61.34 -54.56 33.45 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.444 -0.785 . . . . 0.0 109.008 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -43.99 73.57 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.26 -0.9 . . . . 0.0 109.136 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . 39.9 m -56.01 -45.1 79.19 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.266 -0.896 . . . . 0.0 109.022 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 287' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 288' ' ' LYS . 4.4 mt -59.27 -53.92 52.78 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.378 -0.826 . . . . 0.0 109.045 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 288' ' ' LYS . . . . . 0.415 ' HE2' HG12 ' A' ' 284' ' ' VAL . 0.0 OUTLIER -47.49 -43.55 24.59 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.332 -0.855 . . . . 0.0 109.21 179.741 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 289' ' ' ALA . . . . . . . . . . . . . . . -54.04 -61.35 2.36 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.162 -0.961 . . . . 0.0 109.189 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 290' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -48.18 -36.82 14.35 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.32 -0.863 . . . . 0.0 109.377 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -60.07 -45.26 93.49 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.227 -0.921 . . . . 0.0 109.16 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.2 -29.93 70.29 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.348 -0.845 . . . . 0.0 108.919 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -70.61 -50.78 33.41 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.321 -0.862 . . . . 0.0 109.288 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . 0.499 ' HB3' ' HB3' ' B' ' 294' ' ' LEU . 0.3 OUTLIER -64.68 -39.19 93.25 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.21 -0.932 . . . . 0.0 109.376 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -63.06 -47.06 84.58 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.352 -0.843 . . . . 0.0 109.422 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 2.2 t -63.95 -48.78 75.14 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.301 -0.874 . . . . 0.0 109.51 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 58.1 m -57.13 -52.92 63.36 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.334 -0.854 . . . . 0.0 109.603 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 298' ' ' ALA . . . . . . . . . . . . . . . -49.86 -54.05 21.9 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.19 -0.944 . . . . 0.0 109.497 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -53.73 -36.85 62.74 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.241 -0.912 . . . . 0.0 109.51 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 300' ' ' MET . . . . . . . . . . . . . 1.1 mtp -60.85 -42.35 97.65 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.291 -0.881 . . . . 0.0 109.536 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.904 ' O ' HG23 ' A' ' 305' ' ' VAL . 38.4 mt -69.49 -23.63 63.66 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.292 -0.88 . . . . 0.0 109.632 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.25 -51.34 9.04 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.194 -0.941 . . . . 0.0 109.804 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -60.94 -31.04 70.6 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.095 -1.003 . . . . 0.0 109.726 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 304' ' ' GLN . . . . . 0.527 ' HG3' ' N ' ' A' ' 305' ' ' VAL . 3.6 pt20 -77.95 -40.77 38.43 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.217 -0.927 . . . . 0.0 109.668 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 305' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 301' ' ' LEU . 58.8 t -59.11 -49.6 82.74 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 O-C-N 121.107 -0.996 . . . . 0.0 109.227 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 306' ' ' ALA . . . . . 0.525 ' O ' ' CG ' ' A' ' 310' ' ' GLN . . . -63.04 -39.21 94.06 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.275 -0.891 . . . . 0.0 108.936 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 307' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -66.3 -27.39 67.88 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.364 -0.835 . . . . 0.0 109.048 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 309' ' ' LYS . 1.2 mt -80.26 -58.82 2.96 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.306 -0.871 . . . . 0.0 109.229 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 309' ' ' LYS . . . . . 0.511 ' HE3' ' CG1' ' A' ' 305' ' ' VAL . 0.0 OUTLIER -47.88 -41.02 23.28 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.266 -0.896 . . . . 0.0 109.398 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 310' ' ' GLN . . . . . 0.525 ' CG ' ' O ' ' A' ' 306' ' ' ALA . 7.6 mm-40 -55.88 -55.09 36.78 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.295 -0.878 . . . . 0.0 109.496 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 311' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 311' ' ' LYS . 2.4 ttmm -52.23 -25.42 9.22 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.28 -0.887 . . . . 0.0 109.384 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 312' ' ' VAL . . . . . . . . . . . . . 93.8 t -88.2 -17.27 8.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 O-C-N 121.319 -0.863 . . . . 0.0 109.281 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 313' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.1 134.32 41.35 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.34 -0.85 . . . . 0.0 109.224 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 314' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -138.72 -84.02 0.28 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.145 -0.972 . . . . 0.0 109.675 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 315' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.307 -1.254 0 CA-C-O 117.959 -1.02 . . . . 0.0 109.45 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.781 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 273' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -167.99 -40.48 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.224 -0.922 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . -164.45 -141.2 3.06 Favored Glycine 0 C--N 1.305 -1.152 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . -96.93 -27.47 9.48 Favored Glycine 0 C--N 1.306 -1.119 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 276' ' ' ARG . . . . . 0.451 ' O ' HD12 ' B' ' 280' ' ' LEU . 0.6 OUTLIER -62.96 -32.83 74.24 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.221 -1.164 . . . . 0.0 109.348 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 277' ' ' ILE . . . . . 0.66 ' N ' HD12 ' B' ' 277' ' ' ILE . 2.3 mp -71.66 -36.53 59.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.304 -0.873 . . . . 0.0 108.979 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 278' ' ' ALA . . . . . . . . . . . . . . . -55.6 -59.53 4.71 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.356 -0.84 . . . . 0.0 108.835 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -47.19 81.26 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.253 -0.904 . . . . 0.0 109.025 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 280' ' ' LEU . . . . . 0.719 ' O ' HG23 ' B' ' 284' ' ' VAL . 0.2 OUTLIER -49.96 -45.15 51.11 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.359 -0.838 . . . . 0.0 109.363 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.0 -33.62 76.49 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.254 -0.904 . . . . 0.0 109.231 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.63 -39.23 77.29 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.251 -0.906 . . . . 0.0 108.69 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -65.87 -35.55 80.95 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.415 -0.803 . . . . 0.0 108.909 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 284' ' ' VAL . . . . . 0.719 HG23 ' O ' ' B' ' 280' ' ' LEU . 58.3 t -61.8 -54.36 35.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.389 -0.819 . . . . 0.0 109.023 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -44.13 73.64 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.22 -0.925 . . . . 0.0 109.196 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 286' ' ' THR . . . . . . . . . . . . . 42.4 m -55.82 -44.92 78.38 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.377 -0.827 . . . . 0.0 108.988 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 287' ' ' LEU . . . . . . . . . . . . . 4.3 mt -59.42 -53.53 57.15 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.333 -0.854 . . . . 0.0 109.013 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 288' ' ' LYS . . . . . 0.411 ' HE2' HG12 ' B' ' 284' ' ' VAL . 0.0 OUTLIER -48.28 -42.54 31.08 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.385 -0.822 . . . . 0.0 109.149 179.785 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 289' ' ' ALA . . . . . . . . . . . . . . . -54.77 -61.32 2.38 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.294 -0.879 . . . . 0.0 109.183 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 290' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -48.28 -37.96 17.62 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.357 -0.839 . . . . 0.0 109.43 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.84 -46.46 87.66 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.168 -0.958 . . . . 0.0 109.09 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 1.1 m -64.9 -30.28 71.27 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.282 -0.886 . . . . 0.0 109.036 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -70.44 -50.46 38.07 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.372 -0.83 . . . . 0.0 109.248 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 294' ' ' LEU . . . . . 0.499 ' HB3' ' HB3' ' A' ' 294' ' ' LEU . 0.3 OUTLIER -64.95 -38.7 91.83 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.429 -0.794 . . . . 0.0 109.421 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -63.84 -46.33 85.52 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.288 -0.883 . . . . 0.0 109.501 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 2.1 t -64.42 -48.07 76.75 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.322 -0.861 . . . . 0.0 109.557 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 53.6 m -57.86 -52.62 64.74 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.202 -0.936 . . . . 0.0 109.674 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -50.05 -53.95 23.52 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.24 -0.913 . . . . 0.0 109.56 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -53.84 -37.24 63.42 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.199 -0.938 . . . . 0.0 109.52 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.47 -42.46 96.3 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.261 -0.9 . . . . 0.0 109.38 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 301' ' ' LEU . . . . . 0.886 ' O ' HG23 ' B' ' 305' ' ' VAL . 40.4 mt -69.47 -23.71 63.69 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.26 -0.9 . . . . 0.0 109.719 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.15 -51.46 8.95 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.257 -0.902 . . . . 0.0 109.884 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -60.57 -31.2 70.34 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.115 -0.991 . . . . 0.0 109.835 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 304' ' ' GLN . . . . . 0.53 ' HG3' ' N ' ' B' ' 305' ' ' VAL . 3.6 pt20 -77.96 -41.06 37.39 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.097 -1.002 . . . . 0.0 109.588 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 305' ' ' VAL . . . . . 0.886 HG23 ' O ' ' B' ' 301' ' ' LEU . 61.1 t -58.62 -49.9 80.93 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.147 -0.971 . . . . 0.0 109.218 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . 0.517 ' O ' ' CG ' ' B' ' 310' ' ' GLN . . . -63.0 -39.3 94.35 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.243 -0.91 . . . . 0.0 109.13 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 307' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -66.02 -27.06 67.83 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.35 -0.844 . . . . 0.0 109.026 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 308' ' ' LEU . . . . . . . . . . . . . 1.3 mt -80.78 -58.75 2.95 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.392 -0.818 . . . . 0.0 109.238 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 309' ' ' LYS . . . . . 0.517 ' HE3' ' CG1' ' B' ' 305' ' ' VAL . 0.0 OUTLIER -47.63 -41.28 21.75 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.35 -0.844 . . . . 0.0 109.309 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 310' ' ' GLN . . . . . 0.517 ' CG ' ' O ' ' B' ' 306' ' ' ALA . 7.6 mm-40 -55.94 -54.93 38.82 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.331 -0.856 . . . . 0.0 109.423 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 311' ' ' LYS . . . . . 0.408 ' O ' ' HG2' ' B' ' 311' ' ' LYS . 2.3 ttmm -52.3 -25.08 8.6 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.251 -0.906 . . . . 0.0 109.448 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 312' ' ' VAL . . . . . . . . . . . . . 91.5 t -88.49 -17.35 8.45 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 121.187 -0.946 . . . . 0.0 109.334 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 313' ' ' MET . . . . . 0.405 ' N ' ' O ' ' B' ' 310' ' ' GLN . 0.0 OUTLIER -75.07 134.27 41.4 Favored 'General case' 0 C--N 1.307 -1.275 0 O-C-N 121.347 -0.846 . . . . 0.0 109.15 179.867 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 314' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -138.75 -83.11 0.29 Allowed 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.161 -0.962 . . . . 0.0 109.659 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 315' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.308 -1.204 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.402 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.707 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 273' ' ' CYS . . . . . . . . . . . . . 25.8 p -87.4 155.14 20.16 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.321 -0.862 . . . . 0.0 109.536 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 274' ' ' GLY . . . . . . . . . . . . . . . 119.79 102.34 1.95 Allowed Glycine 0 C--N 1.306 -1.125 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . 101.28 -33.07 6.76 Favored Glycine 0 C--N 1.306 -1.11 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.77 -24.12 26.99 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.175 -1.191 . . . . 0.0 109.613 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 277' ' ' ILE . . . . . . . . . . . . . 2.6 mt -65.83 -30.37 49.83 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 O-C-N 121.267 -0.896 . . . . 0.0 109.361 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . -67.51 -34.24 76.72 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.161 -0.962 . . . . 0.0 109.23 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -70.92 -54.08 12.7 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.252 -0.905 . . . . 0.0 109.384 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 1.9 mt -52.37 -40.85 62.54 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.251 -0.905 . . . . 0.0 109.44 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.15 -48.06 83.33 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.287 -0.883 . . . . 0.0 109.355 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -62.5 -19.27 63.41 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.34 -0.85 . . . . 0.0 109.178 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.24 -43.97 26.85 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.279 -0.888 . . . . 0.0 109.359 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 284' ' ' VAL . . . . . . . . . . . . . 82.7 t -68.82 -26.06 31.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 121.201 -0.937 . . . . 0.0 108.877 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -74.61 -62.34 1.57 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.457 -0.777 . . . . 0.0 109.054 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . 0.529 ' O ' ' HB3' ' A' ' 289' ' ' ALA . 44.0 m -50.45 -36.38 33.11 Favored 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.301 -0.874 . . . . 0.0 109.065 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 287' ' ' LEU . . . . . 0.719 HD13 ' HB3' ' B' ' 287' ' ' LEU . 5.0 mt -61.95 -50.88 70.35 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.506 -0.746 . . . . 0.0 109.106 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -21.98 48.51 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.32 -0.863 . . . . 0.0 108.89 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 289' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 286' ' ' THR . . . -71.02 -68.32 0.45 Allowed 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.395 -0.816 . . . . 0.0 109.556 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 290' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -59.82 -15.79 23.45 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.402 -0.811 . . . . 0.0 109.818 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 291' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 287' ' ' LEU . 0.6 OUTLIER -73.62 -53.2 11.03 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.203 -0.936 . . . . 0.0 109.462 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 1.5 t -67.0 -26.38 66.76 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.189 -0.944 . . . . 0.0 109.311 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.14 -60.91 2.22 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.311 -0.868 . . . . 0.0 109.606 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . 0.504 HD22 ' HA ' ' B' ' 295' ' ' ALA . 12.9 mt -54.08 -39.42 66.31 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.218 -0.926 . . . . 0.0 109.483 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 295' ' ' ALA . . . . . 0.478 ' HA ' HD22 ' B' ' 294' ' ' LEU . . . -57.82 -47.37 82.84 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.245 -0.909 . . . . 0.0 109.527 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 24.6 t -59.04 -59.3 5.69 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.289 -0.882 . . . . 0.0 109.69 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 45.4 m -51.48 -25.09 5.88 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.167 -0.958 . . . . 0.0 109.713 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 298' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 295' ' ' ALA . . . -70.3 -57.42 4.88 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.258 -0.901 . . . . 0.0 109.942 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 299' ' ' ASN . . . . . 0.497 ' OD1' ' N ' ' A' ' 300' ' ' MET . 29.9 p30 -63.17 -18.4 63.44 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.287 -0.883 . . . . 0.0 110.061 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 300' ' ' MET . . . . . 0.503 ' O ' ' HG2' ' A' ' 303' ' ' GLU . 1.1 mmt -79.28 -41.05 28.96 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.086 -1.009 . . . . 0.0 109.823 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.904 ' O ' HG23 ' A' ' 305' ' ' VAL . 69.2 mt -73.38 -29.66 62.77 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.037 -1.039 . . . . 0.0 109.507 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 302' ' ' ARG . . . . . 0.403 ' HB3' ' NH1' ' A' ' 302' ' ' ARG . 0.1 OUTLIER -74.42 -48.35 28.25 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.32 -0.863 . . . . 0.0 109.441 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . 0.526 ' HG3' ' N ' ' A' ' 304' ' ' GLN . 12.3 pt-20 -59.07 -39.93 83.64 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.231 -0.918 . . . . 0.0 109.632 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 304' ' ' GLN . . . . . 0.526 ' N ' ' HG3' ' A' ' 303' ' ' GLU . 4.2 pt20 -70.91 -31.26 67.84 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.212 -0.93 . . . . 0.0 109.676 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 305' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 301' ' ' LEU . 55.6 t -64.87 -40.76 90.16 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.29 0 O-C-N 121.065 -1.022 . . . . 0.0 109.135 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -68.12 -36.88 80.44 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.262 -0.899 . . . . 0.0 109.133 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 307' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -61.81 -37.87 86.03 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.19 -0.944 . . . . 0.0 109.101 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.851 ' O ' HG23 ' A' ' 312' ' ' VAL . 0.3 OUTLIER -64.71 -50.61 66.26 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.52 -0.737 . . . . 0.0 109.431 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -63.0 -18.73 63.63 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.253 -0.904 . . . . 0.0 109.409 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -65.81 -38.7 89.66 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.319 -0.863 . . . . 0.0 109.682 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 311' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -86.82 -24.04 25.13 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.098 -1.001 . . . . 0.0 109.554 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 312' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 308' ' ' LEU . 3.9 t -74.08 -18.82 17.26 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 O-C-N 121.159 -0.963 . . . . 0.0 109.53 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 313' ' ' MET . . . . . . . . . . . . . 3.4 ttp -65.41 101.84 0.62 Allowed 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.279 -0.888 . . . . 0.0 109.507 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 314' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -162.0 82.11 0.56 Allowed 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.308 -0.87 . . . . 0.0 109.341 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 315' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 . . . . . 0 C--N 1.307 -1.275 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.412 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.731 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 273' ' ' CYS . . . . . . . . . . . . . 24.7 p -87.22 155.39 20.11 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.276 -0.89 . . . . 0.0 109.473 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 119.57 102.68 1.99 Allowed Glycine 0 C--N 1.304 -1.212 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . 101.08 -33.27 6.58 Favored Glycine 0 C--N 1.305 -1.184 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.66 -23.61 27.4 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.156 -1.202 . . . . 0.0 109.667 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 277' ' ' ILE . . . . . . . . . . . . . 2.5 mt -66.36 -30.02 48.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 O-C-N 121.091 -1.005 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 278' ' ' ALA . . . . . . . . . . . . . . . -67.86 -34.09 76.01 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.267 -0.896 . . . . 0.0 109.29 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -70.7 -54.09 13.17 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.36 -0.838 . . . . 0.0 109.37 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 280' ' ' LEU . . . . . . . . . . . . . 2.0 mt -52.61 -40.93 63.22 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.267 -0.896 . . . . 0.0 109.339 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.13 -47.51 85.6 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.297 -0.877 . . . . 0.0 109.325 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -62.92 -19.27 64.07 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.354 -0.841 . . . . 0.0 109.222 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.36 -44.05 26.08 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.413 -0.805 . . . . 0.0 109.398 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 284' ' ' VAL . . . . . . . . . . . . . 82.3 t -68.64 -26.3 32.82 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 O-C-N 121.142 -0.974 . . . . 0.0 108.967 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -74.32 -62.38 1.54 Allowed 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.418 -0.801 . . . . 0.0 109.148 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 286' ' ' THR . . . . . 0.525 ' O ' ' HB3' ' B' ' 289' ' ' ALA . 37.6 m -50.64 -35.86 32.63 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.272 -0.893 . . . . 0.0 109.016 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 287' ' ' LEU . . . . . 0.719 ' HB3' HD13 ' A' ' 287' ' ' LEU . 5.0 mt -62.36 -50.25 72.34 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.282 -0.886 . . . . 0.0 109.085 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 288' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -21.46 56.1 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.355 -0.84 . . . . 0.0 108.879 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 289' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' B' ' 286' ' ' THR . . . -71.64 -69.29 0.39 Allowed 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.469 -0.77 . . . . 0.0 109.53 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 290' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -58.74 -16.26 15.88 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.369 -0.832 . . . . 0.0 109.397 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -71.72 -56.2 6.24 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.387 -0.821 . . . . 0.0 109.487 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 1.6 t -65.96 -25.92 67.34 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.289 -0.882 . . . . 0.0 109.573 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -67.13 -60.76 2.34 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.14 -0.975 . . . . 0.0 109.598 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 294' ' ' LEU . . . . . 0.478 HD22 ' HA ' ' A' ' 295' ' ' ALA . 12.7 mt -54.07 -39.32 66.19 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.27 -0.894 . . . . 0.0 109.631 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 295' ' ' ALA . . . . . 0.504 ' HA ' HD22 ' A' ' 294' ' ' LEU . . . -57.81 -47.44 82.59 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.11 -0.994 . . . . 0.0 109.588 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 28.1 t -58.81 -59.64 5.11 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.25 -0.906 . . . . 0.0 109.667 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 45.3 m -51.0 -25.59 4.92 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.258 -0.901 . . . . 0.0 109.745 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 298' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' B' ' 295' ' ' ALA . . . -69.98 -57.74 4.66 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.21 -0.931 . . . . 0.0 109.936 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 299' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' B' ' 300' ' ' MET . 30.2 p30 -62.59 -18.45 62.17 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.186 -0.946 . . . . 0.0 110.12 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 300' ' ' MET . . . . . 0.503 ' O ' ' HG2' ' B' ' 303' ' ' GLU . 1.2 mmt -79.59 -41.05 27.95 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.058 -1.026 . . . . 0.0 109.82 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 301' ' ' LEU . . . . . 0.897 ' O ' HG23 ' B' ' 305' ' ' VAL . 70.5 mt -73.13 -29.91 63.23 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.163 -0.96 . . . . 0.0 109.468 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.12 -48.8 27.12 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.223 -0.923 . . . . 0.0 109.573 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 303' ' ' GLU . . . . . 0.539 ' HG3' ' N ' ' B' ' 304' ' ' GLN . 12.4 pt-20 -58.55 -39.8 81.26 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.274 -0.891 . . . . 0.0 109.694 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 304' ' ' GLN . . . . . 0.539 ' N ' ' HG3' ' B' ' 303' ' ' GLU . 4.2 pt20 -71.08 -31.35 67.71 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.151 -0.968 . . . . 0.0 109.644 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 305' ' ' VAL . . . . . 0.897 HG23 ' O ' ' B' ' 301' ' ' LEU . 54.4 t -64.6 -40.97 90.89 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 O-C-N 121.101 -0.999 . . . . 0.0 109.031 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.19 80.7 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.319 -0.863 . . . . 0.0 109.185 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 307' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -61.28 -38.38 86.55 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.329 -0.857 . . . . 0.0 109.029 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 308' ' ' LEU . . . . . 0.864 ' O ' HG23 ' B' ' 312' ' ' VAL . 0.3 OUTLIER -64.3 -50.9 66.05 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.348 -0.845 . . . . 0.0 109.332 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 309' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -62.79 -18.33 62.56 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.21 -0.931 . . . . 0.0 109.425 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 310' ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -66.34 -38.45 87.67 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.186 -0.946 . . . . 0.0 109.731 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 311' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -87.08 -23.88 24.77 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.22 -0.925 . . . . 0.0 109.57 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 312' ' ' VAL . . . . . 0.864 HG23 ' O ' ' B' ' 308' ' ' LEU . 4.0 t -73.96 -19.07 17.43 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 O-C-N 121.221 -0.924 . . . . 0.0 109.64 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 3.4 ttp -65.32 101.62 0.58 Allowed 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.236 -0.915 . . . . 0.0 109.449 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 314' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -161.76 81.77 0.58 Allowed 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.234 -0.916 . . . . 0.0 109.323 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 315' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 . . . . . 0 C--N 1.306 -1.289 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.422 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 272' ' ' ACE . . . . . 0.431 ' O ' ' N ' ' A' ' 274' ' ' GLY . . . . . . . . 0 C--O 1.215 -0.744 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 273' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 272' ' ' ACE . 19.1 m 59.05 -89.76 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.22 -0.925 . . . . 0.0 109.417 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 274' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 272' ' ' ACE . . . 90.01 122.57 2.37 Favored Glycine 0 C--N 1.305 -1.144 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . 137.15 -63.3 0.58 Allowed Glycine 0 C--N 1.306 -1.138 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -15.5 54.68 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.171 -1.194 . . . . 0.0 109.446 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 277' ' ' ILE . . . . . . . . . . . . . 20.7 mt -78.41 -48.49 22.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 121.273 -0.892 . . . . 0.0 109.356 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . -48.26 -40.14 23.73 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.15 -0.969 . . . . 0.0 109.427 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -51.94 9.93 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.228 -0.92 . . . . 0.0 109.542 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . 0.501 HD12 ' HB3' ' B' ' 280' ' ' LEU . 1.6 mm? -47.81 -40.69 21.74 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.181 -0.949 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -71.95 -40.07 68.96 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.274 -0.891 . . . . 0.0 109.139 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.07 -38.15 64.99 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.224 -0.923 . . . . 0.0 108.96 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -58.07 4.23 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.341 -0.849 . . . . 0.0 109.025 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 284' ' ' VAL . . . . . 0.725 HG12 ' HE2' ' A' ' 288' ' ' LYS . 43.5 t -46.84 -28.5 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.401 -0.812 . . . . 0.0 109.059 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.18 -49.57 34.53 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.37 -0.831 . . . . 0.0 108.952 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -47.76 69.74 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.335 -0.853 . . . . 0.0 108.952 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 287' ' ' LEU . . . . . . . . . . . . . 4.0 mt -57.13 -46.87 82.31 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.26 -0.9 . . . . 0.0 109.39 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 288' ' ' LYS . . . . . 0.725 ' HE2' HG12 ' A' ' 284' ' ' VAL . 0.0 OUTLIER -50.27 -52.39 36.75 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.252 -0.905 . . . . 0.0 109.042 179.811 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 289' ' ' ALA . . . . . . . . . . . . . . . -50.14 -64.72 0.72 Allowed 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.337 -0.852 . . . . 0.0 109.264 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 290' ' ' GLN . . . . . 0.434 ' HA ' ' OE1' ' A' ' 293' ' ' GLU . 2.0 mt-30 -48.59 -36.08 14.89 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.285 -0.884 . . . . 0.0 109.296 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -59.16 -66.27 0.53 Allowed 'General case' 0 C--N 1.307 -1.264 0 O-C-N 121.29 -0.881 . . . . 0.0 109.325 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 12.8 p -49.9 -43.97 49.84 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.211 -0.931 . . . . 0.0 109.408 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . 0.434 ' OE1' ' HA ' ' A' ' 290' ' ' GLN . 15.0 mt-10 -54.46 -69.81 0.12 Allowed 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.347 -0.845 . . . . 0.0 109.376 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' B' ' 295' ' ' ALA . 2.9 mt -44.84 -55.11 5.68 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.345 -0.847 . . . . 0.0 109.682 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 295' ' ' ALA . . . . . 0.406 ' HA ' HD22 ' B' ' 294' ' ' LEU . . . -47.92 -39.67 19.71 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.201 -0.937 . . . . 0.0 109.838 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 6.1 m -62.49 -60.16 3.93 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.199 -0.938 . . . . 0.0 109.514 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 4.7 m -47.16 -44.5 21.94 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.186 -0.946 . . . . 0.0 109.439 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 298' ' ' ALA . . . . . . . . . . . . . . . -65.27 -36.67 84.82 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.144 -0.972 . . . . 0.0 109.396 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -60.44 -54.79 41.38 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.323 -0.861 . . . . 0.0 109.375 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 300' ' ' MET . . . . . 0.515 ' O ' ' N ' ' A' ' 303' ' ' GLU . 0.2 OUTLIER -57.45 -51.78 68.03 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.2 -0.937 . . . . 0.0 109.193 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.788 HD13 ' HB3' ' B' ' 301' ' ' LEU . 16.0 mt -46.57 -37.77 8.53 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.206 -0.934 . . . . 0.0 108.89 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -75.33 -24.36 57.37 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.361 -0.837 . . . . 0.0 109.504 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 300' ' ' MET . 5.3 tp10 -72.37 -45.14 61.12 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.241 -0.912 . . . . 0.0 109.151 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 304' ' ' GLN . . . . . 0.611 ' OE1' HD23 ' A' ' 301' ' ' LEU . 0.9 OUTLIER -73.91 -28.36 61.5 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.267 -0.896 . . . . 0.0 109.212 179.793 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 305' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 301' ' ' LEU . 51.4 t -73.74 -41.21 54.57 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 O-C-N 121.248 -0.908 . . . . 0.0 109.182 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.91 72.99 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.335 -0.853 . . . . 0.0 109.244 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 307' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 304' ' ' GLN . 0.0 OUTLIER -65.28 -29.95 70.77 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.192 -0.943 . . . . 0.0 109.067 179.762 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.451 ' N ' ' OE1' ' A' ' 307' ' ' GLN . 0.3 OUTLIER -61.65 -53.44 56.15 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.278 -0.889 . . . . 0.0 109.128 179.633 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -55.03 -53.16 59.35 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.429 -0.794 . . . . 0.0 109.182 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.92 -42.0 59.19 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.429 -0.794 . . . . 0.0 109.747 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 311' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -62.74 -47.23 84.46 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.108 -0.995 . . . . 0.0 109.752 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 312' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 314' ' ' ASN . 48.9 t -63.06 -67.29 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 O-C-N 121.12 -0.988 . . . . 0.0 109.461 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 313' ' ' MET . . . . . . . . . . . . . 6.6 ttm -68.31 71.5 0.18 Allowed 'General case' 0 C--N 1.307 -1.275 0 O-C-N 121.097 -1.002 . . . . 0.0 109.184 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 314' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 312' ' ' VAL . 12.0 t-20 -126.99 172.06 10.79 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.244 -0.91 . . . . 0.0 109.554 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 315' ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' ' 314' ' ' ASN . 57.8 m-85 . . . . . 0 C--N 1.306 -1.3 0 CA-C-O 118.052 -0.975 . . . . 0.0 109.478 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 272' ' ' ACE . . . . . 0.434 ' O ' ' N ' ' B' ' 274' ' ' GLY . . . . . . . . 0 C--O 1.215 -0.723 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 273' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' B' ' 272' ' ' ACE . 22.2 m 59.21 -89.39 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.293 -0.879 . . . . 0.0 109.379 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 274' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' B' ' 272' ' ' ACE . . . 90.08 123.41 2.53 Favored Glycine 0 C--O 1.215 -1.063 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . 136.15 -63.69 0.58 Allowed Glycine 0 C--N 1.305 -1.181 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.05 -15.76 55.17 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.291 -1.123 . . . . 0.0 109.513 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 277' ' ' ILE . . . . . . . . . . . . . 21.2 mt -78.34 -48.47 22.68 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.211 -0.93 . . . . 0.0 109.355 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 278' ' ' ALA . . . . . . . . . . . . . . . -48.41 -39.83 23.88 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.147 -0.971 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 279' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -51.56 10.45 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.183 -0.948 . . . . 0.0 109.42 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 280' ' ' LEU . . . . . 0.501 ' HB3' HD12 ' A' ' 280' ' ' LEU . 1.5 mm? -48.26 -40.63 25.3 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.186 -0.946 . . . . 0.0 109.374 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 281' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -71.85 -39.96 69.34 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.229 -0.92 . . . . 0.0 109.225 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.28 -38.26 65.67 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.262 -0.899 . . . . 0.0 108.929 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -58.08 4.28 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.414 -0.804 . . . . 0.0 109.047 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 284' ' ' VAL . . . . . 0.71 HG12 ' HE2' ' B' ' 288' ' ' LYS . 43.3 t -46.76 -28.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 O-C-N 121.348 -0.845 . . . . 0.0 109.12 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.07 -50.01 31.82 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.265 -0.897 . . . . 0.0 109.054 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 286' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -47.89 67.87 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.213 -0.929 . . . . 0.0 109.015 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 287' ' ' LEU . . . . . . . . . . . . . 4.0 mt -57.3 -46.8 82.8 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.388 -0.82 . . . . 0.0 109.294 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 288' ' ' LYS . . . . . 0.71 ' HE2' HG12 ' B' ' 284' ' ' VAL . 0.0 OUTLIER -50.16 -52.32 36.32 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.248 -0.908 . . . . 0.0 109.011 179.747 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 289' ' ' ALA . . . . . . . . . . . . . . . -50.36 -65.48 0.55 Allowed 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.338 -0.851 . . . . 0.0 109.294 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 290' ' ' GLN . . . . . 0.439 ' HA ' ' OE1' ' B' ' 293' ' ' GLU . 2.0 mt-30 -48.21 -35.72 12.4 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.29 -0.881 . . . . 0.0 109.284 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -59.94 -64.79 0.82 Allowed 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.351 -0.843 . . . . 0.0 109.358 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 12.3 p -51.35 -43.68 61.87 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.125 -0.985 . . . . 0.0 109.21 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 293' ' ' GLU . . . . . 0.439 ' OE1' ' HA ' ' B' ' 290' ' ' GLN . 15.0 mt-10 -54.48 -69.49 0.13 Allowed 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.303 -0.873 . . . . 0.0 109.417 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 294' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 295' ' ' ALA . 2.9 mt -44.93 -54.62 6.29 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.343 -0.848 . . . . 0.0 109.66 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 295' ' ' ALA . . . . . 0.438 ' HA ' HD22 ' A' ' 294' ' ' LEU . . . -48.16 -39.61 21.32 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.322 -0.861 . . . . 0.0 109.835 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 5.8 m -62.72 -60.1 3.97 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.085 -1.01 . . . . 0.0 109.58 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 4.3 m -47.25 -44.16 22.66 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.184 -0.947 . . . . 0.0 109.414 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.52 83.83 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.286 -0.884 . . . . 0.0 109.239 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -60.53 -55.27 35.49 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.242 -0.911 . . . . 0.0 109.354 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 300' ' ' MET . . . . . 0.514 ' O ' ' N ' ' B' ' 303' ' ' GLU . 0.2 OUTLIER -57.04 -51.58 68.7 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.214 -0.928 . . . . 0.0 109.164 179.796 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 301' ' ' LEU . . . . . 0.788 ' HB3' HD13 ' A' ' 301' ' ' LEU . 15.9 mt -46.56 -37.81 8.56 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.107 -0.996 . . . . 0.0 109.044 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -75.38 -24.04 57.17 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.302 -0.874 . . . . 0.0 109.448 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 303' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' B' ' 300' ' ' MET . 5.3 tp10 -72.66 -45.03 60.96 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.307 -0.87 . . . . 0.0 109.085 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 304' ' ' GLN . . . . . 0.609 ' OE1' HD23 ' B' ' 301' ' ' LEU . 0.9 OUTLIER -74.07 -28.17 61.26 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.326 -0.859 . . . . 0.0 109.243 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 305' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 301' ' ' LEU . 53.6 t -73.82 -41.41 53.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.249 -0.907 . . . . 0.0 109.174 179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -62.81 -49.94 72.95 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.348 -0.845 . . . . 0.0 109.227 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 307' ' ' GLN . . . . . 0.465 ' HG3' ' O ' ' B' ' 304' ' ' GLN . 0.0 OUTLIER -65.2 -30.01 70.87 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.209 -0.932 . . . . 0.0 109.096 179.679 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 308' ' ' LEU . . . . . 0.447 ' N ' ' OE1' ' B' ' 307' ' ' GLN . 0.3 OUTLIER -61.57 -53.87 50.6 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.324 -0.86 . . . . 0.0 109.003 179.715 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 309' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -54.66 -53.13 58.83 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.331 -0.855 . . . . 0.0 109.244 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 310' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.07 -42.09 60.35 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.339 -0.851 . . . . 0.0 109.811 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 311' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -62.56 -47.42 83.96 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.169 -0.957 . . . . 0.0 109.733 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 312' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' B' ' 314' ' ' ASN . 49.7 t -62.73 -67.52 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 O-C-N 121.197 -0.939 . . . . 0.0 109.543 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 6.2 ttm -68.03 71.59 0.16 Allowed 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.113 -0.992 . . . . 0.0 109.203 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 314' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' B' ' 312' ' ' VAL . 11.6 t-20 -127.06 171.94 10.93 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.188 -0.945 . . . . 0.0 109.638 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 315' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' B' ' 314' ' ' ASN . 58.1 m-85 . . . . . 0 C--N 1.306 -1.291 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.458 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.76 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 273' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -177.78 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.253 -0.904 . . . . 0.0 109.468 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 274' ' ' GLY . . . . . . . . . . . . . . . 176.01 102.18 0.15 Allowed Glycine 0 C--N 1.305 -1.176 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 275' ' ' GLY . . . . . . . . . . . . . . . 155.25 -63.17 0.34 Allowed Glycine 0 C--N 1.304 -1.225 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 276' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -93.72 -27.46 16.5 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.209 -1.171 . . . . 0.0 109.365 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 277' ' ' ILE . . . . . 0.757 HG22 HG22 ' B' ' 277' ' ' ILE . 2.1 pp -65.52 -49.59 77.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 O-C-N 121.352 -0.843 . . . . 0.0 109.958 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . 0.737 ' N ' HD12 ' A' ' 277' ' ' ILE . . . -62.78 -25.54 68.28 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.145 -0.972 . . . . 0.0 109.367 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 279' ' ' ARG . . . . . 0.423 ' HD3' ' HA ' ' A' ' 279' ' ' ARG . 15.0 mmt180 -70.35 -65.19 0.76 Allowed 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.191 -0.943 . . . . 0.0 109.176 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.38 -22.12 4.31 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.234 -0.916 . . . . 0.0 108.92 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . 0.437 ' HA ' ' OE1' ' A' ' 281' ' ' GLU . 4.5 mm-40 -68.16 -53.38 25.52 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.431 -0.793 . . . . 0.0 109.098 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 282' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -56.66 -33.23 66.15 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.155 -0.966 . . . . 0.0 108.813 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 283' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -65.58 -42.12 92.12 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.36 -0.838 . . . . 0.0 108.997 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 284' ' ' VAL . . . . . 0.889 HG22 HG22 ' B' ' 284' ' ' VAL . 53.3 t -61.51 -30.51 48.3 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 O-C-N 121.388 -0.82 . . . . 0.0 108.913 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 285' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -66.14 -54.71 22.14 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.255 -0.903 . . . . 0.0 109.386 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.58 -46.61 63.56 Favored 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.147 -0.971 . . . . 0.0 109.014 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 287' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.16 -46.94 65.68 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 121.218 -0.926 . . . . 0.0 108.847 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 288' ' ' LYS . . . . . 0.429 ' HD3' ' O ' ' A' ' 284' ' ' VAL . 1.5 mptp? -53.64 -42.33 67.7 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.401 -0.812 . . . . 0.0 109.066 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 289' ' ' ALA . . . . . . . . . . . . . . . -54.76 -58.07 9.0 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.282 -0.886 . . . . 0.0 109.597 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 290' ' ' GLN . . . . . 0.426 ' O ' ' HB2' ' A' ' 293' ' ' GLU . 34.6 mt-30 -50.14 -35.73 27.1 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.411 -0.806 . . . . 0.0 109.84 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 291' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -60.44 -49.36 77.87 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.138 -0.976 . . . . 0.0 109.163 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 292' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.12 -30.56 70.45 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.098 -1.001 . . . . 0.0 109.008 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 293' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 290' ' ' GLN . 12.4 mt-10 -61.27 -61.25 2.69 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.299 -0.876 . . . . 0.0 109.25 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 294' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.02 -28.04 62.14 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.324 -0.86 . . . . 0.0 109.494 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 295' ' ' ALA . . . . . . . . . . . . . . . -61.24 -46.81 88.84 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.28 -0.887 . . . . 0.0 109.556 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 296' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -43.16 91.91 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.289 -0.882 . . . . 0.0 109.511 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 297' ' ' THR . . . . . . . . . . . . . 67.7 m -54.33 -42.01 69.7 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.188 -0.945 . . . . 0.0 109.719 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 298' ' ' ALA . . . . . . . . . . . . . . . -63.02 -55.25 27.28 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.294 -0.879 . . . . 0.0 109.678 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 299' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -57.3 -19.25 20.86 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.074 -1.016 . . . . 0.0 109.523 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 300' ' ' MET . . . . . 0.506 ' O ' ' CG ' ' A' ' 303' ' ' GLU . 0.0 OUTLIER -75.25 -61.85 1.76 Allowed 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.25 -0.906 . . . . 0.0 109.256 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 301' ' ' LEU . . . . . 0.581 HD23 ' OE1' ' A' ' 304' ' ' GLN . 4.7 mt -59.41 -19.33 46.34 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.235 -0.916 . . . . 0.0 109.198 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 302' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -79.02 -38.97 35.26 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.179 -0.951 . . . . 0.0 109.958 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 303' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 300' ' ' MET . 7.8 pt-20 -69.93 -32.39 70.64 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.18 -0.95 . . . . 0.0 109.487 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 304' ' ' GLN . . . . . 0.581 ' OE1' HD23 ' A' ' 301' ' ' LEU . 13.4 pt20 -75.82 -39.66 56.37 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.179 -0.951 . . . . 0.0 109.52 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 305' ' ' VAL . . . . . 0.547 ' N ' ' HG3' ' A' ' 304' ' ' GLN . 53.5 t -71.1 -26.82 27.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 O-C-N 121.205 -0.935 . . . . 0.0 109.357 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -71.81 -51.37 22.86 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.183 -0.948 . . . . 0.0 108.969 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 307' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 303' ' ' GLU . 2.6 pt20 -66.69 -22.35 66.08 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.376 -0.827 . . . . 0.0 109.099 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 304' ' ' GLN . 0.3 OUTLIER -73.39 -42.22 62.39 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.344 -0.848 . . . . 0.0 109.419 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 309' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -76.4 -19.37 58.19 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.233 -0.917 . . . . 0.0 109.352 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -64.09 -26.18 68.43 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.217 -0.927 . . . . 0.0 109.338 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 311' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.63 -19.61 48.79 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.231 -0.918 . . . . 0.0 109.279 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 312' ' ' VAL . . . . . . . . . . . . . 97.3 t -88.58 -23.84 6.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 121.281 -0.887 . . . . 0.0 109.377 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 313' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -27.38 27.38 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.245 -0.909 . . . . 0.0 109.483 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 314' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -84.32 -42.72 15.49 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.316 -0.865 . . . . 0.0 109.402 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 315' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--N 1.306 -1.318 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.462 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 272' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.761 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 273' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -178.11 0.04 OUTLIER 'General case' 0 C--N 1.307 -1.274 0 O-C-N 121.16 -0.963 . . . . 0.0 109.457 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 274' ' ' GLY . . . . . . . . . . . . . . . 176.17 102.32 0.16 Allowed Glycine 0 C--N 1.304 -1.214 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 275' ' ' GLY . . . . . . . . . . . . . . . 155.33 -62.32 0.35 Allowed Glycine 0 C--N 1.305 -1.148 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 276' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -94.75 -27.38 15.83 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.36 -1.083 . . . . 0.0 109.372 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 277' ' ' ILE . . . . . 0.757 HG22 HG22 ' A' ' 277' ' ' ILE . 2.2 pp -65.62 -49.23 79.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 O-C-N 121.228 -0.92 . . . . 0.0 110.051 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 278' ' ' ALA . . . . . 0.734 ' N ' HD12 ' B' ' 277' ' ' ILE . . . -62.84 -25.84 68.47 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.071 -1.018 . . . . 0.0 109.215 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 279' ' ' ARG . . . . . 0.421 ' HD3' ' HA ' ' B' ' 279' ' ' ARG . 15.0 mmt180 -70.12 -65.51 0.71 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.227 -0.921 . . . . 0.0 109.136 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 280' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.02 -22.32 3.93 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.224 -0.922 . . . . 0.0 108.921 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 281' ' ' GLU . . . . . 0.435 ' HA ' ' OE1' ' B' ' 281' ' ' GLU . 4.4 mm-40 -68.01 -53.79 23.26 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.452 -0.78 . . . . 0.0 109.153 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 282' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -56.27 -33.13 65.19 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.194 -0.941 . . . . 0.0 108.877 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 283' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -65.69 -42.05 91.66 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.357 -0.84 . . . . 0.0 108.928 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 284' ' ' VAL . . . . . 0.889 HG22 HG22 ' A' ' 284' ' ' VAL . 54.7 t -61.42 -30.6 48.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.331 -0.855 . . . . 0.0 108.792 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 285' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -66.15 -55.45 16.31 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.472 -0.768 . . . . 0.0 109.272 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 286' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.85 -46.61 60.22 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.201 -0.937 . . . . 0.0 109.039 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 287' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.08 -46.95 65.39 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.368 -0.833 . . . . 0.0 108.76 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 288' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' B' ' 284' ' ' VAL . 1.5 mptp? -53.87 -42.35 68.5 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.347 -0.846 . . . . 0.0 109.064 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 289' ' ' ALA . . . . . . . . . . . . . . . -54.26 -58.01 9.02 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.376 -0.828 . . . . 0.0 109.558 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 290' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -51.11 -33.29 25.77 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.445 -0.784 . . . . 0.0 109.732 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 291' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -61.59 -47.59 84.78 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.23 -0.919 . . . . 0.0 109.264 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 292' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.05 -30.39 71.47 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.284 -0.885 . . . . 0.0 109.31 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 293' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -60.99 -61.66 2.42 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.283 -0.886 . . . . 0.0 109.302 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 294' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' B' ' 294' ' ' LEU . 97.6 mt -56.73 -28.24 60.7 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.345 -0.847 . . . . 0.0 109.491 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 295' ' ' ALA . . . . . . . . . . . . . . . -60.99 -47.12 87.95 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.334 -0.854 . . . . 0.0 109.523 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 296' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.11 -43.79 90.85 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.228 -0.92 . . . . 0.0 109.513 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 297' ' ' THR . . . . . . . . . . . . . 66.4 m -53.56 -42.04 67.12 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.273 -0.892 . . . . 0.0 109.668 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 298' ' ' ALA . . . . . . . . . . . . . . . -63.08 -55.62 23.92 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.16 -0.962 . . . . 0.0 109.582 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -56.96 -19.04 15.89 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.254 -0.904 . . . . 0.0 109.613 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 300' ' ' MET . . . . . 0.502 ' O ' ' CG ' ' B' ' 303' ' ' GLU . 0.0 OUTLIER -75.18 -61.91 1.74 Allowed 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.158 -0.964 . . . . 0.0 109.317 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 301' ' ' LEU . . . . . 0.563 HD23 ' OE1' ' B' ' 304' ' ' GLN . 4.5 mt -59.5 -19.15 45.95 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.201 -0.937 . . . . 0.0 109.147 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 302' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -79.05 -38.93 35.23 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.252 -0.905 . . . . 0.0 109.824 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 303' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' B' ' 300' ' ' MET . 8.0 pt-20 -70.02 -32.38 70.51 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.073 -1.017 . . . . 0.0 109.524 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 304' ' ' GLN . . . . . 0.563 ' OE1' HD23 ' B' ' 301' ' ' LEU . 13.6 pt20 -75.89 -39.78 55.75 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.262 -0.899 . . . . 0.0 109.383 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 305' ' ' VAL . . . . . 0.534 ' N ' ' HG3' ' B' ' 304' ' ' GLN . 53.2 t -70.83 -26.89 28.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.367 -0.833 . . . . 0.0 109.349 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 306' ' ' ALA . . . . . . . . . . . . . . . -71.79 -51.35 23.02 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.285 -0.884 . . . . 0.0 109.1 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 307' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' B' ' 303' ' ' GLU . 2.7 pt20 -66.7 -22.28 66.07 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.159 -0.963 . . . . 0.0 109.123 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 308' ' ' LEU . . . . . 0.505 HD12 ' O ' ' B' ' 304' ' ' GLN . 0.3 OUTLIER -73.5 -42.06 62.29 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.414 -0.804 . . . . 0.0 109.433 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 309' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -76.45 -19.54 57.95 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.355 -0.841 . . . . 0.0 109.317 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 310' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -64.15 -26.23 68.44 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 121.239 -0.913 . . . . 0.0 109.349 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 311' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.7 -19.24 49.39 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.238 -0.914 . . . . 0.0 109.343 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 312' ' ' VAL . . . . . . . . . . . . . 95.8 t -88.77 -24.24 6.1 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 O-C-N 121.274 -0.891 . . . . 0.0 109.338 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.86 -27.8 28.43 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.263 -0.898 . . . . 0.0 109.425 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 314' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -84.0 -43.0 15.62 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.274 -0.891 . . . . 0.0 109.404 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 315' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.306 -1.296 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.428 -179.854 . . . . . . . . 0 0 . 1 stop_ save_