data_2j0z_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 2j0z _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.861 0.362 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -141.27 96.2 2.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 3.2 m -70.97 117.18 12.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 47.6 tp -112.4 102.23 10.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -73.19 113.72 10.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 23.5 mm -104.46 140.18 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.414 ' HG2' ' CE2' ' B' ' 327' ' ' TYR . 83.1 mtt180 -113.96 38.48 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -151.2 135.75 5.24 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.409 ' HD2' ' CZ ' ' B' ' 328' ' ' PHE . 4.6 tpt180 -75.82 -37.22 59.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -76.26 -52.0 10.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.42 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 6.7 ttm180 -56.15 -43.75 78.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.778 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -61.87 -46.43 89.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.38 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -55.2 -33.8 63.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.653 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.5 ttm -66.41 -58.62 4.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.326 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.42 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.7 m-85 -59.93 -29.48 68.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.782 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -35.09 79.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.172 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -79.7 -32.78 41.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.254 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.25 -31.01 60.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.433 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -73.7 -42.23 61.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.68 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -71.25 -33.5 69.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.691 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.72 -31.22 64.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -71.86 -39.47 69.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -65.53 -31.43 72.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.9 -32.24 69.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.785 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -65.96 -31.5 72.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -62.72 -31.64 72.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.24 -31.25 67.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.414 ' CE2' ' HG2' ' A' ' 333' ' ' ARG . 5.9 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.801 0.334 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.409 ' CZ ' ' HD2' ' A' ' 335' ' ' ARG . 18.4 m-85 -142.94 93.48 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.41 117.68 7.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.4 tp -113.59 113.73 25.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -97.19 128.02 43.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -135.71 145.74 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 -98.29 35.53 1.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.27 106.31 0.67 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -62.05 -31.97 72.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.34 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -74.4 -50.96 16.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.42 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 4.9 ttm180 -56.7 -41.53 77.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.748 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -61.9 -47.3 85.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.428 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -54.35 -35.06 62.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.645 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.5 ttm -65.36 -58.47 5.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.272 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.42 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 5.4 m-85 -58.47 -30.75 67.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.714 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -63.93 -37.92 89.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.163 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -76.84 -33.59 57.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.225 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.61 -32.64 66.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.327 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -69.48 -45.05 69.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.667 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -70.94 -29.4 65.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.834 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.0 -29.22 55.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -75.77 -36.12 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -70.92 -29.45 65.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.781 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.02 -44.18 55.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.779 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -69.79 -30.32 67.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -73.85 -31.31 63.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.1 -34.6 73.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.067 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.405 ' O ' ' CD1' ' C' ' 328' ' ' PHE . 94.1 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.798 0.333 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' C' ' 327' ' ' TYR . 13.0 m-85 -138.38 107.98 6.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 6.0 m -76.65 129.87 36.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 15.4 tp -129.28 105.92 8.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -84.89 124.87 32.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -116.52 117.87 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.414 ' HB3' ' CZ ' ' D' ' 327' ' ' TYR . 0.2 OUTLIER -68.99 -30.39 68.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -80.11 128.97 8.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.459 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 9.4 ttp85 -71.93 -36.62 69.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.766 0.317 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.15 -47.75 60.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -57.29 -42.1 81.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.772 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.42 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 12.8 t80 -60.89 -47.8 84.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.488 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -54.42 -34.85 62.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.782 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.8 ttm -66.05 -56.89 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.388 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -61.16 -31.21 70.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.632 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.77 -33.03 74.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.203 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -75.95 -35.36 59.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.381 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 2.4 mp -72.66 -38.86 67.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.45 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -66.84 -36.24 81.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.497 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.72 -47.4 63.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.628 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.61 -28.87 69.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.654 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 7.1 tp -68.9 -39.91 79.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.755 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.98 -33.56 75.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.3 mp -66.55 -38.86 88.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.805 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -60.22 -36.05 76.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -62.31 -37.98 87.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.46 -31.0 70.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.938 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.414 ' CZ ' ' HB3' ' C' ' 333' ' ' ARG . 10.2 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.768 0.318 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.42 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 30.2 m-85 -140.44 119.39 12.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.37 121.85 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 16.4 tp -124.44 107.42 11.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -80.68 125.04 29.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.7 mt -127.34 137.18 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.049 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 28.4 ttp85 -98.1 36.21 1.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.67 115.49 1.71 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.504 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -40.03 94.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.75 0.309 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.98 -47.7 24.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.459 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 2.0 tpt180 -57.35 -48.63 78.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.714 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -62.56 -45.21 93.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.081 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -56.18 -32.65 64.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.45 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.2 ttm -66.25 -60.25 2.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.184 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.459 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 6.6 m-85 -59.0 -29.88 67.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.804 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -37.53 85.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.094 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.15 -31.18 49.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.237 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.41 -30.45 61.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.519 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -74.32 -44.07 54.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.684 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -71.67 -30.89 66.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.793 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.88 -31.46 56.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.057 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.02 -31.9 61.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.764 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -71.83 -33.12 68.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 19.1 mt -69.78 -37.25 76.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -64.55 -31.31 72.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.53 -33.0 74.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.96 -31.16 71.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.913 0.387 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -134.07 84.01 2.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.24 101.42 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.402 HD13 ' CE2' ' B' ' 338' ' ' PHE . 5.1 tt -101.73 124.34 47.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -105.91 136.17 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -130.31 151.42 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -100.4 31.75 3.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -139.71 129.38 4.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.86 -34.59 69.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.758 0.314 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -75.22 -39.21 60.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.441 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 1.8 tpp180 -59.86 -52.21 66.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.683 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.401 ' CD1' HD11 ' B' ' 330' ' ' LEU . 7.6 t80 -59.78 -43.84 94.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.221 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -55.92 -34.79 65.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.553 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 4.7 ttp -65.64 -59.73 3.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.25 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.449 ' CD2' ' CD1' ' B' ' 341' ' ' PHE . 6.1 m-85 -59.06 -28.86 66.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.773 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -36.16 82.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.138 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -78.64 -31.53 46.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.396 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 86.0 mt -77.36 -30.32 53.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.622 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -75.69 -37.94 59.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.713 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.27 -36.04 66.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.689 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.54 -31.85 67.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.797 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.54 -41.62 72.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.571 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -72.62 -25.07 61.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.538 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 8.9 tp -74.07 -36.84 64.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.868 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -72.34 -29.29 63.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -72.15 -31.3 65.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.917 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.19 -31.67 72.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.06 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.809 0.337 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -148.14 142.23 26.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.43 146.75 27.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.401 HD11 ' CD1' ' A' ' 338' ' ' PHE . 6.9 tt -143.02 94.84 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -61.02 121.67 13.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mt -121.79 112.3 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 11.8 ttt85 -96.8 39.19 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -142.06 129.97 4.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.448 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.94 -66.26 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.792 0.33 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.66 -38.01 80.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.827 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.449 ' HG2' ' CE2' ' B' ' 341' ' ' PHE . 29.2 ttm180 -60.4 -53.52 56.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.529 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.402 ' CE2' HD13 ' A' ' 330' ' ' LEU . 7.8 t80 -61.85 -44.26 97.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.987 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -57.63 -31.56 66.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.432 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.4 ttp -67.59 -59.34 3.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.327 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.449 ' CD1' ' CD2' ' A' ' 341' ' ' PHE . 1.8 m-85 -63.3 -28.24 69.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.702 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -37.58 65.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.386 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -79.17 -32.15 44.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.277 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.45 -30.55 53.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.52 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -76.11 -37.68 57.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.709 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -31.02 63.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.705 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.36 -35.37 63.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.062 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -72.34 -35.14 68.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.747 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -69.44 -31.49 69.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.811 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mt -66.55 -35.72 80.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -36.42 77.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.47 -35.38 80.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.05 -39.61 72.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.926 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.434 ' CE1' ' CG ' ' D' ' 333' ' ' ARG . 5.9 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.762 0.315 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -138.58 115.52 10.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 7.8 m -71.08 124.67 24.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 54.3 tp -131.21 119.4 21.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -104.97 123.86 48.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -120.78 131.65 72.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -88.12 76.15 8.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.42 119.98 0.6 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.442 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.7 ttt85 -67.35 -31.04 71.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -74.54 -51.61 14.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -56.46 -41.86 77.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.717 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -61.95 -47.01 86.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.377 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -54.75 -34.26 62.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.641 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.1 mtm -66.43 -58.6 4.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.313 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -59.6 -29.12 67.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.746 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -37.86 85.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.145 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -78.49 -32.16 48.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.274 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 2.2 mp -75.36 -30.38 60.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.51 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -73.99 -41.97 61.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.713 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.08 -31.45 62.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.709 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.64 -30.81 46.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.956 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.1 mt -77.57 -29.18 51.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.815 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -74.76 -31.13 61.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.809 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.3 mt -69.47 -34.91 75.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -63.59 -31.52 72.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -62.05 -31.97 72.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.13 72.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.07 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.804 0.335 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -133.99 91.92 2.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.75 148.34 47.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 21.9 tp -160.43 98.65 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -67.48 102.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 27.3 mm -82.25 131.13 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.434 ' CG ' ' CE1' ' C' ' 327' ' ' TYR . 3.5 tmt_? -96.74 77.21 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 160.72 127.87 0.92 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -31.03 69.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.337 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -75.83 -51.84 11.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -56.64 -43.74 80.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.674 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -61.45 -45.83 92.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.403 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.25 -34.67 64.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.648 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.9 ttm -66.44 -58.27 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.334 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -61.72 -29.53 70.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.664 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -68.26 -33.45 74.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.247 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -81.12 -32.91 33.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.287 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 2.7 mp -77.67 -31.02 52.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.457 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -75.68 -37.93 59.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.614 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -72.27 -35.72 68.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.666 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.96 -33.93 70.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -70.03 -38.65 75.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.75 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -64.74 -31.03 72.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.04 -43.23 93.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -59.95 -37.41 79.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -70.56 -31.92 69.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.37 -31.31 62.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' B' ' 333' ' ' ARG . 66.1 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.768 0.318 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -107.39 105.16 14.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.17 149.3 49.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 18.4 tp -153.13 113.92 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -90.33 109.95 21.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -110.01 145.25 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -98.7 77.35 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 174.05 111.39 0.27 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 22.8 ptt-85 -61.49 -33.31 73.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.341 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -72.78 -42.75 63.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -58.61 -50.58 73.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.731 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -58.32 -43.26 88.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.378 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -54.81 -35.39 63.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.591 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.3 mmm -66.32 -61.04 2.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.104 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -60.39 -27.28 67.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.716 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -33.41 74.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.978 0.418 . . . . 0.0 110.062 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.08 -31.44 34.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.24 179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 3.7 mp -76.61 -31.76 57.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.534 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -76.08 -40.65 52.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.672 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -73.87 -30.83 62.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.658 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.33 -31.18 60.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 8.6 mt -74.02 -38.41 64.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.754 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.04 -31.71 70.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.801 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 9.0 mt -67.43 -34.45 77.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.64 -33.9 74.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.798 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.02 -36.97 85.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.98 -31.32 69.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.093 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -107.24 110.55 22.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.59 152.96 42.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 61.6 tp -153.59 115.83 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.89 115.66 25.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 29.8 mm -101.05 115.2 42.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.418 ' HB3' ' CE2' ' A' ' 327' ' ' TYR . 4.6 ptm180 -86.47 69.34 10.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 164.53 121.92 0.58 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -28.37 67.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.722 0.296 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.12 -51.38 12.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -46.02 78.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.687 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -60.79 -45.52 94.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.371 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -55.6 -35.2 65.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.676 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 5.0 ttp -67.64 -58.43 4.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.248 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -62.62 -25.98 68.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.7 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -71.91 -40.57 68.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.197 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -76.58 -30.67 57.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.316 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 71.0 mt -76.63 -31.68 57.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.602 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -72.29 -39.22 68.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.509 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -69.09 -42.56 76.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.671 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.82 -26.23 62.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 4.0 mp -74.93 -31.46 61.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.822 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -70.0 -31.0 68.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 10.1 mt -71.0 -45.6 63.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -31.28 71.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -70.39 -31.5 68.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.06 -31.3 61.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.793 0.33 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -153.81 97.54 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.2 m -68.72 143.55 54.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 14.7 tp -143.33 115.07 8.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -94.13 84.15 4.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -92.04 129.28 42.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.58 32.57 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -118.41 114.58 2.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -50.58 72.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.326 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -70.08 -41.49 74.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.43 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 1.5 tpp85 -59.31 -51.53 69.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.702 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -59.74 -43.3 94.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.268 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.78 -35.1 65.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.548 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.1 mmm -66.05 -60.13 3.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.162 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.456 ' CD2' ' CD1' ' D' ' 341' ' ' PHE . 5.4 m-85 -60.08 -27.81 67.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.694 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.6 ttp85 -67.63 -33.73 75.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.201 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -81.1 -31.61 34.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.339 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 7.1 mt -78.48 -30.19 47.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.596 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -77.64 -36.97 50.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.677 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -75.16 -31.72 61.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.774 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.79 -31.91 57.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.53 -33.25 60.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.77 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -73.01 -33.24 65.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.57 -31.6 68.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -67.13 -31.67 72.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.66 -31.37 72.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.51 -41.58 84.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.05 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.777 0.323 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -88.07 97.72 11.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.53 140.28 46.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -136.23 115.35 12.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -96.75 86.09 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -76.74 137.18 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.29 34.35 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -144.14 140.18 9.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.466 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -74.1 -56.74 4.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -62.74 -35.91 81.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.451 ' HG3' ' CE2' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -60.58 -53.34 58.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.602 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -61.1 -45.12 96.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.052 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -56.59 -32.45 65.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.343 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.5 ttp -66.61 -60.67 2.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.139 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.456 ' CD1' ' CD2' ' C' ' 341' ' ' PHE . 5.0 m-85 -59.39 -29.41 67.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.97 -39.6 83.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.134 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -76.55 -29.86 56.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.156 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.1 mp -74.54 -37.08 63.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.502 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -69.45 -39.23 77.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.786 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -75.74 -31.13 59.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.731 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.61 -31.63 41.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 1.5 mt -77.96 -28.1 49.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.769 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -75.65 -29.84 59.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.778 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 8.6 mt -72.11 -39.77 68.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.45 -32.84 70.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.2 -31.63 67.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.24 -31.16 69.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.851 0.358 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -150.03 114.61 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.18 152.89 31.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 6.8 tp -142.86 103.75 4.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.406 ' HB3' ' CD1' ' B' ' 327' ' ' TYR . 22.0 mt-30 -90.17 104.4 16.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 26.9 mm -107.55 103.83 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.416 ' HB2' ' CE1' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -64.14 -31.92 73.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -75.58 132.96 13.77 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -73.41 -40.95 63.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -71.36 -42.78 68.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.412 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 0.1 OUTLIER -57.73 -48.91 78.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.776 179.867 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.421 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 11.0 t80 -59.17 -46.23 88.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.415 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -54.81 -34.66 63.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.599 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.7 tmm? -65.9 -59.01 4.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.273 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.412 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 5.8 m-85 -58.19 -28.77 65.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.784 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -65.05 -40.0 94.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.059 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -76.37 -32.76 58.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.179 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.27 -29.76 64.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.361 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.08 -47.75 49.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.635 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -69.86 -31.18 68.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.767 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.58 -31.39 57.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.067 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -74.05 -31.29 62.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.78 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -69.24 -32.11 71.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.789 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.47 -32.79 58.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.803 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -73.88 -31.36 63.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -71.07 -31.48 67.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.73 -31.15 70.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.416 ' CE1' ' HB2' ' A' ' 333' ' ' ARG . 13.8 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.827 0.346 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.421 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 20.8 m-85 -98.79 96.88 8.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.3 149.42 33.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 7.4 tp -151.32 107.52 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -80.12 108.53 13.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -99.21 133.76 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.73 30.81 3.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -137.88 114.3 1.07 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -60.79 -35.7 77.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -74.58 -50.46 17.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.421 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 5.4 ttm180 -56.83 -42.74 80.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.773 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -61.48 -46.6 89.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.395 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -54.58 -34.7 62.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.727 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -65.76 -58.25 6.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.338 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.421 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 5.2 m-85 -60.03 -30.77 69.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.715 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -33.34 75.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.969 0.414 . . . . 0.0 110.168 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -81.97 -30.92 31.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.291 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.81 -30.2 45.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.616 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -79.24 -37.67 37.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.578 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -77.17 -30.58 54.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.647 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.1 -30.84 44.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 9.2 mt -77.65 -32.04 53.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.706 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.46 -30.35 63.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.741 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.05 -34.31 75.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -63.13 -33.04 74.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.66 -31.52 69.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.13 -38.29 85.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.789 0.328 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.403 ' CZ ' ' HG3' ' D' ' 335' ' ' ARG . 8.3 m-85 -101.24 111.32 23.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.2 m -76.33 114.05 14.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 18.5 tp -102.62 108.67 20.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -97.97 102.04 13.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -102.6 139.48 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.4 34.22 2.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -138.28 119.96 1.9 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.439 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -60.32 -51.64 68.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.781 0.324 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -65.57 -34.89 79.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.426 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 0.8 OUTLIER -60.78 -53.1 61.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.76 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -57.86 -43.81 86.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.315 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -55.39 -34.63 64.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.52 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.3 ttp -66.78 -61.08 2.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.088 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.456 ' CD2' ' CD2' ' D' ' 341' ' ' PHE . 5.9 m-85 -59.56 -26.51 65.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.698 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -67.47 -36.09 80.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.071 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -77.86 -33.0 52.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.242 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 3.5 mp -72.55 -31.24 65.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.411 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.96 -46.51 57.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.574 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -68.97 -33.57 73.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.779 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.11 -31.46 62.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 10.1 mt -71.92 -34.36 69.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.771 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.55 -31.25 71.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.853 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 8.8 mt -63.9 -36.41 83.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 53.8 mttt -65.68 -32.77 74.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -66.93 -32.68 74.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.31 -32.67 74.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.838 0.352 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -141.4 126.33 18.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 7.1 m -98.54 152.77 19.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 18.7 tp -151.47 106.18 3.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.19 83.6 3.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -78.84 127.13 39.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 18.0 ptt85 -98.4 32.85 2.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.46 111.12 0.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.403 ' HG3' ' CZ ' ' C' ' 328' ' ' PHE . 3.8 ttp180 -62.44 -31.05 71.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -60.38 2.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 -56.34 -40.47 74.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -63.87 -39.37 94.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.243 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -57.65 -41.21 81.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.767 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.5 ttp -62.17 -54.39 41.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.418 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.456 ' CD2' ' CD2' ' C' ' 341' ' ' PHE . 2.8 m-85 -60.95 -36.41 79.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.807 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -37.34 86.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.221 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -79.01 -30.22 44.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.324 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 29.0 mt -78.43 -31.85 48.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.66 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -76.19 -35.31 59.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.71 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -75.68 -37.06 59.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.574 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.55 -33.3 64.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.611 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.74 -41.53 53.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.344 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.55 -25.81 65.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.241 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.3 tp -66.03 -41.02 91.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.69 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -67.05 -42.93 83.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -68.15 -31.5 71.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.09 -33.46 70.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.892 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.87 0.367 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -151.66 92.09 1.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 3.1 m -62.14 130.92 47.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 33.1 tp -133.0 113.21 12.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.74 106.06 18.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.32 119.89 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.51 -32.09 71.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -75.55 131.17 11.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.522 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -72.08 -40.07 68.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -70.78 -41.27 71.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -47.08 85.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.699 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.415 ' CZ ' HD12 ' B' ' 330' ' ' LEU . 11.3 t80 -59.22 -46.98 87.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.503 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -54.73 -34.22 62.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.642 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.6 mtp -66.58 -58.61 4.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.308 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.481 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 3.5 m-85 -60.99 -28.99 69.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -69.63 -36.69 76.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.934 0.397 . . . . 0.0 110.23 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -79.92 -30.88 40.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.299 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -76.98 -29.21 55.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.64 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -76.81 -40.96 46.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.689 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -73.37 -30.32 63.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.752 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.28 -32.3 55.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.82 -31.39 59.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.784 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.63 -33.31 62.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.44 -40.26 57.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.806 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -28.68 61.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.9 -30.77 56.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.38 -30.2 64.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.074 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.853 0.358 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.406 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 10.7 m-85 -107.34 102.43 11.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.63 144.84 50.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.415 HD12 ' CZ ' ' A' ' 338' ' ' PHE . 12.7 tp -144.84 98.82 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -69.33 88.53 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 27.7 mm -73.82 141.35 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -118.54 39.62 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -151.38 141.6 8.75 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -73.79 -60.37 2.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.751 0.31 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -60.75 -36.01 77.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.467 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -60.97 -54.16 48.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.583 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -61.14 -43.99 98.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.082 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -57.24 -32.22 66.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.358 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 4.5 tmm? -67.38 -60.76 2.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.177 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.481 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 5.2 m-85 -58.77 -27.0 64.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.7 179.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -66.39 -39.68 89.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.205 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -74.78 -33.05 62.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.963 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.96 -42.59 63.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.236 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -66.33 -38.85 88.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.713 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -77.15 -30.38 54.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.696 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.87 -29.77 40.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.981 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 38.3 mt -79.62 -30.45 41.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.84 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.14 -30.36 55.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.806 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.23 -31.15 63.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.818 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -68.61 -31.46 70.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.82 -31.62 72.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.7 -34.06 71.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.831 0.348 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -154.55 132.5 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.77 114.14 27.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.447 ' CD1' ' CE2' ' D' ' 338' ' ' PHE . 13.7 tp -105.25 97.25 7.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 16.9 mp0 -77.34 115.74 17.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 28.2 mm -114.6 113.19 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.198 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -30.69 71.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -80.93 130.81 9.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -40.66 68.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -70.91 -41.9 70.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.477 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 4.8 tpp180 -57.73 -48.6 79.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.451 ' CZ ' ' CD1' ' D' ' 330' ' ' LEU . 10.4 t80 -58.79 -46.67 87.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.397 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -54.67 -32.55 59.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.475 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 3.5 tpp -67.14 -62.19 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.973 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.477 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 6.7 m-85 -60.34 -28.0 67.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.965 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -34.75 70.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.968 0.413 . . . . 0.0 110.155 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -80.51 -29.62 37.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.188 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.6 mp -75.74 -32.64 60.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.598 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -75.32 -42.15 55.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.662 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -75.51 -30.18 59.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.654 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.78 -29.97 40.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 8.0 mt -78.49 -29.86 46.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.76 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -75.32 -29.83 60.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 10.1 mt -74.17 -40.8 62.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -68.82 -30.61 69.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -69.4 -31.79 70.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.803 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.08 -30.91 70.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.798 0.333 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -130.94 109.76 10.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.26 142.41 45.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.451 ' CD1' ' CZ ' ' C' ' 338' ' ' PHE . 13.5 tp -128.47 92.72 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -72.69 84.05 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.4 mt -88.42 142.1 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -98.85 35.64 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -137.25 115.35 1.23 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.29 -50.83 72.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.828 0.347 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -65.8 -35.02 79.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.438 ' HG3' ' CE1' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -60.29 -52.78 63.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.728 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.447 ' CE2' ' CD1' ' C' ' 330' ' ' LEU . 8.7 t80 -58.5 -45.27 89.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.34 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -55.27 -33.76 63.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.492 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.6 ttp -66.5 -60.73 2.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.158 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.438 ' CE1' ' HG3' ' D' ' 337' ' ' ARG . 6.2 m-85 -59.59 -27.99 66.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.771 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -67.75 -34.08 76.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.917 0.389 . . . . 0.0 110.169 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -80.21 -30.4 38.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.352 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.26 -30.78 57.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.664 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -76.13 -41.68 49.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.652 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -74.31 -31.54 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.708 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.69 -30.67 46.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 5.7 mt -77.12 -29.2 54.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.76 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -73.66 -30.81 63.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.755 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 mt -74.17 -45.21 50.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.764 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -28.82 65.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.767 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -74.58 -30.49 61.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.807 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.48 -31.05 69.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.807 0.337 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -139.94 94.55 2.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.75 124.92 25.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 16.0 tp -115.24 107.66 15.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -76.33 96.7 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -100.63 137.43 28.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -97.42 38.65 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -137.27 117.84 1.6 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.43 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -48.51 81.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.961 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -69.98 -40.41 75.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.432 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 2.6 ttp-105 -59.97 -52.71 64.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.635 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.401 ' CD2' ' HB2' ' B' ' 330' ' ' LEU . 7.2 t80 -62.67 -43.73 98.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.973 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -57.47 -32.02 66.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.306 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.7 ttm -66.79 -60.67 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.177 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.445 ' CD2' ' CD1' ' B' ' 341' ' ' PHE . 5.0 m-85 -60.23 -28.7 68.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.743 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -35.69 78.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.981 0.42 . . . . 0.0 110.175 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -79.87 -31.51 40.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.195 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 2.1 mp -75.43 -30.84 60.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.497 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -74.78 -42.64 57.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.727 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -73.33 -31.91 64.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.696 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.84 -30.28 56.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.963 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 15.1 mt -75.6 -33.0 60.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -72.24 -32.89 67.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.94 -36.84 75.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -64.8 -33.55 76.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -32.4 73.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.13 -31.14 55.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.838 0.351 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -131.23 102.07 5.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 3.0 m -64.27 119.5 10.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.401 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 24.9 tp -107.29 98.78 8.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -69.94 84.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -81.02 153.19 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.66 99.19 5.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 140.66 141.46 4.01 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.6 -36.87 68.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.33 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -77.03 -43.28 35.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.423 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 3.8 ttp180 -59.45 -52.49 65.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -62.75 -42.65 99.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.968 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -57.91 -32.36 67.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.368 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttm -67.33 -60.64 2.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.172 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.445 ' CD1' ' CD2' ' A' ' 341' ' ' PHE . 4.6 m-85 -59.97 -26.92 66.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.758 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.92 -36.93 81.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.173 179.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -76.48 -34.91 58.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.336 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 26.8 mt -72.38 -29.78 64.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.488 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -72.38 -44.55 62.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.722 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -70.26 -31.21 68.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.768 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.83 -34.15 60.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 1.5 mt -72.84 -30.52 64.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -70.93 -29.33 65.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 mt -69.97 -44.43 69.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -62.54 -29.52 70.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -66.98 -39.93 87.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.65 -31.4 63.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.88 0.371 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -144.35 123.39 12.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.35 94.35 8.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 21.1 tp -95.21 119.24 33.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -101.12 126.53 47.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -131.43 153.67 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -98.21 31.11 2.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -123.33 105.13 0.89 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.481 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -58.8 -43.6 90.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.763 0.316 . . . . 0.0 110.982 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -72.28 -38.34 68.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.416 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 5.7 ttm180 -60.57 -48.64 80.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.661 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.441 ' CE2' ' CD1' ' D' ' 330' ' ' LEU . 10.7 t80 -59.23 -46.35 88.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.448 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -55.31 -33.7 63.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.672 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.8 ttp -66.97 -58.51 4.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.319 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.416 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.9 m-85 -60.31 -29.05 68.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.685 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -66.95 -35.33 79.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.171 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -78.61 -32.43 47.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.372 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 20.4 mt -74.54 -30.03 61.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.596 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -74.33 -43.55 56.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.647 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.73 -31.8 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.693 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.12 -26.85 48.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -78.61 -28.03 45.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -76.98 -34.61 57.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.201 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 pp -76.26 -32.56 58.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.126 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -78.1 -28.88 48.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.792 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -75.58 -30.07 59.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.05 -31.3 67.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.861 0.362 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -120.11 115.26 23.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 23.3 m -68.78 138.27 54.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.441 ' CD1' ' CE2' ' C' ' 338' ' ' PHE . 41.4 tp -130.71 108.77 10.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -87.36 111.42 21.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 23.3 mm -104.01 132.43 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.135 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -100.89 35.67 2.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -152.65 135.36 4.89 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -76.21 -44.94 35.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.336 . . . . 0.0 111.011 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -63.76 -55.32 24.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -55.76 -46.64 77.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.777 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -59.55 -40.03 85.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.367 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.94 -41.22 77.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.741 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -62.57 -54.91 32.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.396 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -58.92 -33.73 70.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.777 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -62.95 -38.68 92.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.216 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -77.8 -31.19 51.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.213 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.2 mp -74.2 -31.52 62.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.51 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -73.16 -43.87 60.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.76 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -72.94 -30.04 63.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.804 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.59 -30.7 41.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 1.2 mt -79.28 -25.93 42.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -81.34 -34.15 32.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.5 pp -79.41 -29.06 41.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.942 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.21 -28.58 34.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.766 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -78.25 -30.34 48.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.52 -30.92 61.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.038 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.765 0.316 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -148.65 92.5 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 3.9 m -71.24 152.85 42.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.415 HD12 ' CE1' ' B' ' 338' ' ' PHE . 13.5 tp -150.57 101.44 2.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -77.23 88.22 3.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.9 mt -92.62 130.68 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -97.79 74.88 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.7 122.99 0.87 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.521 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -69.19 -31.54 70.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -75.99 -52.17 10.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -56.43 -43.47 79.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.65 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -61.56 -46.14 91.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.394 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -55.22 -34.66 64.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.677 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.4 ttm -66.55 -58.17 5.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.398 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.427 ' CD2' ' CD2' ' B' ' 341' ' ' PHE . 2.5 m-85 -62.74 -29.43 70.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.723 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -70.92 -36.77 72.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.213 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -79.01 -31.3 44.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.319 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.72 -32.08 57.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.516 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -74.27 -38.61 63.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.799 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -75.48 -32.32 60.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.698 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.28 -30.58 48.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.958 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 4.5 mt -77.76 -29.99 51.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -75.69 -30.82 59.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.5 mt -72.38 -32.31 66.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -67.83 -35.31 78.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -64.85 -40.34 95.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.49 -31.49 71.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.854 0.359 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -104.03 106.2 16.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.4 m -74.97 107.83 7.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 38.8 tp -102.69 119.04 38.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -99.35 103.59 15.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -104.62 145.53 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.88 38.1 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.24 135.81 8.31 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -73.49 -64.37 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -59.54 -35.67 74.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.45 ' HG3' ' CE1' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -60.34 -52.69 64.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.716 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.415 ' CE1' HD12 ' A' ' 330' ' ' LEU . 8.5 t80 -59.25 -45.03 92.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.232 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -55.87 -32.55 63.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.432 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.6 ttp -67.49 -61.52 1.86 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.088 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.45 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 5.0 m-85 -60.24 -26.59 66.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.76 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.43 -36.17 76.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.205 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.01 -31.79 44.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.339 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 7.3 mt -76.46 -29.89 57.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.602 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -75.74 -39.87 56.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.744 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -73.97 -33.7 63.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.725 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.08 -31.63 56.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 4.4 mt -75.61 -29.69 59.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.697 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -71.88 -30.28 65.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.791 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 14.0 mt -66.86 -37.2 84.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -64.36 -31.89 73.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -73.67 -32.54 64.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.98 -33.03 67.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.851 0.358 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.407 ' HB3' ' CD2' ' D' ' 338' ' ' PHE . 20.5 m-85 -142.55 112.57 7.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.55 125.05 48.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 5.2 tp -123.08 119.78 31.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -84.3 96.75 9.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -93.52 113.29 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -30.19 66.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -79.52 123.2 6.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.5 ptp85 -70.42 -31.36 68.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.955 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -68.89 -55.35 11.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.4 ttm105 -55.92 -38.38 70.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.695 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.412 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 11.7 t80 -63.26 -47.17 83.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.395 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -54.2 -35.56 62.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.634 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.33 -58.59 5.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.275 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.431 ' CD2' ' CD2' ' D' ' 341' ' ' PHE . 3.4 m-85 -61.27 -30.41 70.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.832 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 23.8 ttp85 -69.9 -35.99 75.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.989 0.423 . . . . 0.0 110.221 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -79.93 -29.88 39.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.324 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.53 -30.27 52.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.63 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -77.28 -39.06 49.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.725 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -30.49 61.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.792 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.77 -32.67 52.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.006 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 51.1 mt -75.69 -31.27 59.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.732 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -72.68 -29.63 63.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.804 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -70.14 -40.19 74.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -71.6 -34.92 70.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.93 -30.65 62.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.84 -34.82 62.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.412 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 35.6 m-85 -154.87 94.11 1.62 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 6.3 m -61.13 114.85 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 8.9 tp -107.44 119.21 38.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -104.11 125.18 50.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -128.5 136.48 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -99.57 34.21 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.01 142.08 13.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.535 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -75.02 -64.3 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -58.81 -35.16 72.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.443 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 2.2 ttp-105 -60.88 -54.03 50.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.6 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.407 ' CD2' ' HB3' ' C' ' 328' ' ' PHE . 8.0 t80 -60.79 -44.86 96.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.035 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.68 -30.52 63.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.641 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -59.08 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.162 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.443 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.0 m-85 -61.09 -29.86 70.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.091 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -31.97 69.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.924 0.392 . . . . 0.0 110.186 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -80.69 -33.6 35.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.215 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.95 -32.23 67.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.348 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.13 -48.1 46.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.477 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.24 -31.16 69.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.81 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.75 -31.37 59.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.011 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.78 -33.98 66.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.694 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.25 -31.44 71.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -69.59 -32.82 71.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -64.72 -31.84 73.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -62.0 -31.95 72.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.06 -31.08 69.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.072 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.819 0.342 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.404 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 21.4 m-85 -115.53 116.8 28.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 1.8 m -78.83 127.09 31.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 18.2 tp -118.91 91.36 3.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.02 97.33 5.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -106.46 137.2 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.62 30.97 4.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -121.42 127.99 7.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.8 ttp85 -66.59 -65.19 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.68 -36.37 76.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.468 ' HG3' ' CE2' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -59.84 -51.79 68.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.735 179.805 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -59.79 -46.45 89.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.22 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.74 -31.33 62.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.359 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -67.23 -61.52 1.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.101 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.468 ' CE2' ' HG3' ' A' ' 337' ' ' ARG . 7.0 m-85 -58.63 -28.04 65.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -35.31 78.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.961 0.41 . . . . 0.0 110.232 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -80.1 -29.94 39.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.315 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.17 -30.9 55.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.597 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -76.76 -39.58 51.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.791 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -75.11 -30.34 60.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.743 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.7 -32.26 46.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.012 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.0 mt -77.12 -29.54 54.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.746 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -74.63 -29.93 61.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.6 mt -72.3 -40.49 67.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.46 -31.36 68.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -72.4 -31.65 65.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.11 -31.55 66.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.91 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.81 0.338 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.412 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 5.7 m-85 -107.71 100.44 9.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.8 m -82.04 139.84 34.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.8 tp -137.59 119.04 14.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -102.69 90.09 3.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -90.09 142.34 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.114 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -98.48 32.84 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -120.51 116.07 3.11 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.469 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 23.1 ttp85 -60.25 -52.64 64.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -69.59 -42.53 74.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -45.93 84.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.775 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.404 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 12.7 t80 -59.42 -48.07 83.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.496 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -54.73 -33.37 61.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.694 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.0 mtm -67.05 -57.96 5.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.391 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.419 ' HB3' ' CG ' ' A' ' 341' ' ' PHE . 2.5 m-85 -62.16 -29.8 70.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.74 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -70.38 -36.85 74.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.236 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -78.85 -31.15 45.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.332 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.12 -30.56 58.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.575 179.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -75.23 -40.75 58.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.768 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -71.72 -31.4 66.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.29 -34.9 61.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.015 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -72.39 -32.12 66.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.738 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.95 -30.1 67.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -42.9 79.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -31.15 69.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -61.98 -36.93 82.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.0 -31.34 72.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.094 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.405 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 8.0 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.85 0.357 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -153.06 114.32 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.57 143.02 50.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.413 HD12 ' CE2' ' D' ' 338' ' ' PHE . 15.9 tp -140.95 102.06 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -102.69 95.98 6.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 23.5 mt -106.64 152.96 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -105.21 36.32 2.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -125.11 112.39 1.71 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.437 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -64.19 -42.4 96.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -73.0 -46.58 51.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -57.2 -43.14 82.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.703 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -61.1 -48.86 79.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.419 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -54.27 -33.24 58.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.647 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.2 ttm -66.77 -58.02 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.346 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.432 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 3.4 m-85 -60.13 -30.56 69.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.693 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.38 -38.26 87.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.191 179.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -78.14 -32.16 50.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.267 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 61.5 mt -74.84 -29.78 61.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.458 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -73.82 -43.76 57.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.58 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -69.45 -34.64 74.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.709 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.09 -33.43 70.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -68.9 -39.19 79.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.669 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -61.98 -31.79 72.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.773 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.86 -52.64 27.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.732 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -29.68 69.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -76.03 -30.85 58.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.31 -31.06 65.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.782 0.325 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -132.15 108.81 9.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.49 126.38 30.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 14.6 tp -131.96 112.34 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -87.98 93.65 9.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.428 HD11 HG22 ' D' ' 332' ' ' ILE . 27.4 mm -79.31 134.09 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.405 ' HG3' ' CE2' ' C' ' 327' ' ' TYR . 9.6 ttp180 -98.67 30.8 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.42 127.22 4.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.431 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.9 ptt-85 -70.28 -47.69 60.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.788 0.328 . . . . 0.0 110.928 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -39.39 61.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.0 mtm105 -62.0 -44.71 96.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.9 0.381 . . . . 0.0 110.548 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.413 ' CE2' HD12 ' C' ' 330' ' ' LEU . 12.4 t80 -61.31 -48.07 83.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.31 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -54.94 -32.48 61.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.564 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.13 -59.03 3.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.252 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.432 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 3.6 m-85 -60.21 -29.68 68.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.742 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -67.47 -37.82 83.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.138 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -78.66 -32.04 47.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.203 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.5 mp -75.31 -30.47 60.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.474 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -73.68 -42.59 61.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.671 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.34 -32.4 66.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.66 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.12 -30.75 62.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.913 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -72.74 -39.07 67.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.684 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -68.95 -34.54 75.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.04 -31.54 72.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.84 -32.38 73.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.803 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.69 -31.71 70.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.5 -31.68 71.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.784 0.326 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -144.62 92.95 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.23 128.7 33.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -132.37 115.77 16.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.408 ' HB3' ' CE2' ' B' ' 327' ' ' TYR . 2.9 mt-30 -85.91 99.51 11.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -89.59 147.0 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.06 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 18.0 mtm180 -103.51 35.88 2.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.44 138.3 10.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.513 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 7.9 ttt-85 -75.48 -64.49 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -59.62 -36.61 76.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.435 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 22.8 ttp180 -60.39 -53.37 58.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.589 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -61.47 -45.25 95.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.047 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.0 -31.39 65.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.439 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.59 -59.43 3.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.303 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.483 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 2.1 m-85 -61.75 -28.06 69.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.682 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 15.6 ttp85 -70.41 -38.52 74.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.345 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -78.33 -32.13 49.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.379 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 7.9 mt -77.61 -28.69 51.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.567 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -76.6 -37.76 55.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.707 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -74.0 -32.79 63.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.792 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.55 -31.66 60.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 11.6 mt -75.1 -33.78 61.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -71.91 -31.48 66.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.15 -37.46 75.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -64.19 -31.56 72.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.06 -31.44 72.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.42 -37.03 68.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.408 ' CE2' ' HB3' ' A' ' 331' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.815 0.34 . . . . 0.0 110.897 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -150.03 127.19 11.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.61 112.89 24.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.4 tp -109.05 122.22 46.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -94.44 111.58 23.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.463 HD11 HG22 ' B' ' 332' ' ' ILE . 24.4 mm -103.5 119.63 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.63 32.87 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -142.32 125.87 2.78 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -60.34 -49.14 78.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.337 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -69.82 -39.85 76.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.426 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 3.5 ttm180 -59.28 -51.62 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.69 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -59.83 -45.01 93.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.265 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -55.82 -33.55 64.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.483 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.7 ttm -66.02 -60.24 3.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.183 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.483 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 6.9 m-85 -58.16 -29.15 65.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -36.79 84.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.967 0.413 . . . . 0.0 110.114 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.65 -31.91 47.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.307 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.69 -31.9 62.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.45 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -72.56 -43.16 63.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.633 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -70.57 -36.11 73.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.621 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.11 -30.84 65.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 10.1 mt -71.37 -37.42 71.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.705 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -64.62 -30.95 71.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 1.2 mp -66.8 -46.86 73.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -59.32 -30.87 68.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.29 -31.56 58.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.29 -35.29 55.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -129.01 128.74 44.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.28 101.01 11.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 12.2 tp -93.69 106.28 18.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -83.88 113.71 21.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.9 mt -116.61 145.38 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.403 ' HG3' ' CE1' ' D' ' 327' ' ' TYR . 1.8 ttm180 -98.16 35.62 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -138.52 120.61 1.99 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 13.2 ttt85 -68.02 -33.06 73.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.21 -48.67 27.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -55.89 -43.59 77.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.716 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -61.29 -49.16 78.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.378 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.46 -32.62 58.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.641 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.7 -58.07 5.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.316 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -61.91 -31.61 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.716 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -36.15 75.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.152 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -80.09 -31.86 39.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.16 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.03 -30.62 58.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.476 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -74.72 -41.93 59.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.645 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -71.45 -34.62 70.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.685 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.95 -30.73 65.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.834 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.09 -41.06 71.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.686 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.35 -31.45 72.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.51 -33.98 69.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -66.7 -35.31 79.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -66.54 -31.85 72.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.24 -31.2 54.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.403 ' CE1' ' HG3' ' C' ' 333' ' ' ARG . 8.4 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.852 0.358 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -147.86 152.64 37.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 66.5 m -139.25 134.43 32.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.99 117.83 19.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.36 84.55 6.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -77.47 141.6 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -97.72 38.13 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -146.14 125.33 2.24 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.455 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -74.58 -33.03 62.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 0.0 111.039 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -71.28 -62.72 1.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.0 ptp85 -52.87 -43.0 65.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -61.04 -39.79 91.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.299 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -56.65 -41.89 77.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.618 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.1 mtm -62.14 -55.89 24.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.412 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -59.33 -31.38 69.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.788 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -37.23 86.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.951 0.405 . . . . 0.0 110.267 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -77.75 -32.39 52.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.299 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 82.8 mt -74.13 -29.48 61.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.595 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -74.53 -43.86 53.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.722 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -71.58 -31.93 67.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.806 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.89 -31.1 59.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.983 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.76 -34.09 64.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.733 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -68.63 -31.36 70.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.97 -47.22 53.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -29.43 67.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -75.98 -30.91 58.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.73 -36.3 65.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.794 0.331 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -134.71 98.56 4.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.01 143.9 57.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.42 HD12 ' CE2' ' B' ' 338' ' ' PHE . 14.7 tp -144.31 100.72 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -77.96 83.89 4.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -88.4 126.87 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 9.5 ttp85 -87.53 72.81 9.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -168.64 113.07 0.51 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.409 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 11.7 ptp180 -62.4 -41.24 98.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -75.76 -44.7 40.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -48.61 78.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.685 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -60.45 -46.83 88.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.242 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.46 -32.86 63.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.3 ttp -67.1 -59.52 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.189 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -59.92 -29.15 68.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.799 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -41.02 79.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.995 0.426 . . . . 0.0 110.168 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -76.11 -31.54 58.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.217 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.7 -31.58 63.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.497 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -71.57 -44.04 65.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.802 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.07 -34.76 73.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.779 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.45 -36.7 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 10.8 mt -77.08 -27.14 54.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.64 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.92 -29.07 58.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.662 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.07 -37.6 78.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.774 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 7.0 mtpp -65.08 -31.33 72.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.91 -32.11 73.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.45 -34.26 73.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.765 0.317 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.409 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 6.1 m-85 -110.89 109.98 20.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.7 m -74.68 132.43 41.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 6.2 tp -134.59 105.2 6.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -100.77 114.99 29.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.401 ' N ' ' CD1' ' B' ' 332' ' ' ILE . 3.1 mp -101.1 149.38 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -98.8 31.15 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -143.46 120.53 1.52 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -32.04 70.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.35 -46.18 23.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.432 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 1.5 tpp180 -58.11 -50.15 74.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.665 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.42 ' CE2' HD12 ' A' ' 330' ' ' LEU . 7.4 t80 -60.48 -43.8 96.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.176 179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -55.4 -34.75 64.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.604 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 24.1 ttm -65.7 -60.08 3.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.23 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.432 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 7.4 m-85 -58.75 -28.53 65.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -36.84 84.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.987 0.422 . . . . 0.0 110.056 179.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -78.3 -31.08 48.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.319 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 2.3 tp -75.71 -30.7 59.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.587 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -74.53 -41.45 60.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.69 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -72.15 -35.05 68.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.76 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.7 -31.87 59.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 4.2 mt -74.44 -29.27 61.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.752 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -70.41 -31.64 68.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.72 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.69 -49.45 39.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.711 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -28.94 66.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.739 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -75.63 -30.44 59.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.767 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.57 -30.94 67.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.059 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.849 0.357 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -140.35 104.39 4.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.42 124.31 27.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.7 tp -118.2 103.88 10.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -86.91 83.99 7.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -89.22 143.55 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.406 ' HG2' ' CD1' ' D' ' 327' ' ' TYR . 38.5 mtm180 -101.04 37.59 1.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -138.91 135.32 7.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.33 -43.88 39.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.28 -41.3 66.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.436 ' HG3' ' CZ ' ' C' ' 341' ' ' PHE . 8.1 ttp180 -59.64 -52.7 64.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.616 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -62.4 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.013 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -31.89 67.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.383 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.27 -60.24 2.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.208 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.436 ' CZ ' ' HG3' ' C' ' 337' ' ' ARG . 3.3 m-85 -62.42 -28.61 69.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -71.68 -34.78 69.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.956 0.408 . . . . 0.0 110.286 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -80.9 -31.38 35.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.245 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.93 -29.39 55.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.543 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -76.91 -41.31 44.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.7 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.84 -31.03 61.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.672 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.36 -30.79 48.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.967 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 6.8 mt -76.64 -31.41 57.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.74 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -72.99 -29.87 63.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -70.1 -37.63 75.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -62.79 -32.11 73.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -71.83 -32.18 67.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.86 -37.11 78.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.406 ' CD1' ' HG2' ' C' ' 333' ' ' ARG . 20.7 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.791 0.329 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -147.04 98.23 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.39 139.37 49.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 28.7 tp -131.74 110.3 10.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -96.85 90.16 5.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -91.26 140.54 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.77 33.42 2.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.01 125.6 4.34 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -75.04 -34.52 61.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.349 . . . . 0.0 110.934 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -75.65 -53.64 8.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttm105 -55.74 -41.74 74.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.72 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -62.12 -47.08 86.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.382 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -54.4 -35.14 62.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.681 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.9 ttp -65.5 -58.32 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.313 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.422 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 4.9 m-85 -59.24 -30.9 68.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.809 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.33 -39.4 89.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.093 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -76.86 -29.39 55.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.062 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.36 -39.35 62.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.535 179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -69.5 -39.19 77.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.765 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.06 -30.61 62.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.05 -29.79 58.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 13.9 mt -75.06 -39.01 61.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.789 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.42 -27.24 65.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.65 -41.1 69.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -30.17 68.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -70.71 -31.8 68.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.24 -32.31 73.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.81 0.338 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -143.57 92.89 2.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 2.9 m -60.87 150.42 33.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.407 HD12 ' CE2' ' B' ' 338' ' ' PHE . 15.2 tp -144.18 107.98 4.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -89.79 83.94 6.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -86.63 130.22 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -98.76 32.61 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -134.63 109.66 0.8 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.518 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -60.25 -31.65 70.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.328 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -75.99 -54.08 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.5 ttm105 -56.32 -38.1 70.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.715 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.4 ' CE1' HD11 ' B' ' 330' ' ' LEU . 12.9 t80 -64.16 -48.61 75.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.329 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -54.43 -32.97 58.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.612 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 3.2 mtp -66.72 -58.7 4.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.285 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.425 ' HB3' ' CG ' ' B' ' 341' ' ' PHE . 3.2 m-85 -60.55 -30.14 69.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.796 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -68.64 -37.14 79.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.219 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -79.12 -30.97 44.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.214 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 1.6 mp -75.78 -32.27 59.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.46 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -73.25 -41.58 63.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.626 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -36.79 68.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.625 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.7 -31.27 64.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.789 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 1.5 mt -70.68 -37.27 73.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.584 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.21 -26.43 47.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.516 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 9.9 tp -78.34 -31.37 48.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.816 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -33.38 65.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.82 -31.56 70.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.46 -43.87 68.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.802 0.334 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -102.32 103.63 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.17 152.81 32.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.4 HD11 ' CE1' ' A' ' 338' ' ' PHE . 13.7 tp -154.2 98.49 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -89.15 108.95 19.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 28.0 mm -103.47 137.76 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -98.77 30.65 3.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.04 128.73 5.37 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.505 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -70.36 -47.74 59.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.53 -44.52 62.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.432 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 1.0 OUTLIER -58.71 -51.36 70.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.618 179.783 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.407 ' CE2' HD12 ' A' ' 330' ' ' LEU . 7.3 t80 -62.41 -43.76 98.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.0 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -57.31 -32.08 66.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.366 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 5.8 ttm -67.12 -60.97 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.159 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.432 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 5.4 m-85 -59.96 -27.28 66.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -68.82 -34.88 76.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.925 0.393 . . . . 0.0 110.218 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -79.29 -31.96 43.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.319 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.29 -32.0 60.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.484 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -73.58 -41.39 62.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.666 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -72.27 -31.15 65.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.709 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.56 -31.12 63.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.945 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.57 -41.9 65.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.87 -30.97 70.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 mt -69.62 -35.93 75.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -63.37 -32.93 74.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -66.97 -36.34 81.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.74 -35.74 78.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.842 0.353 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -117.4 102.31 9.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.82 134.79 50.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 17.6 tp -130.99 109.54 10.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -86.31 100.46 12.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -102.57 141.7 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -98.87 34.67 2.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.69 123.53 3.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.61 -64.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -60.33 -38.39 83.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.451 ' HG3' ' CZ ' ' C' ' 341' ' ' PHE . 3.0 tpt180 -59.23 -51.39 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.718 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.41 ' CE1' HD12 ' D' ' 330' ' ' LEU . 9.7 t80 -60.81 -46.55 90.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.131 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -55.85 -32.41 63.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.393 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 30.5 ttm -66.03 -60.18 3.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.199 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.451 ' CZ ' ' HG3' ' C' ' 337' ' ' ARG . 5.1 m-85 -60.48 -31.26 70.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.799 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -35.03 77.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.981 0.42 . . . . 0.0 110.122 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -79.26 -30.7 43.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.134 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.08 -32.19 64.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.494 179.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -73.76 -46.47 45.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.585 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.92 -29.24 65.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.606 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.29 -32.85 61.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.008 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.09 -37.42 69.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.749 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.58 -30.25 70.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -37.68 88.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -60.01 -38.96 84.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.87 -40.58 97.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.83 -33.66 76.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.065 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -137.34 118.49 14.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 1.8 m -82.25 116.33 21.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.41 HD12 ' CE1' ' C' ' 338' ' ' PHE . 20.1 tp -106.03 112.34 25.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -90.87 84.08 5.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -86.92 119.82 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -85.58 76.49 10.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 177.19 140.24 3.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.459 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -76.3 -51.08 12.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -68.0 -39.23 83.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.441 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 3.9 tpp180 -60.36 -53.22 60.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.624 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -60.47 -42.88 97.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.167 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -56.93 -34.26 67.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.494 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.3 ttp -66.6 -59.95 3.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.219 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.441 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 3.6 m-85 -60.77 -27.85 68.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.676 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -67.5 -33.69 75.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.106 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.93 -35.28 59.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.394 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 7.1 mt -71.83 -36.59 70.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.495 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -67.24 -40.36 86.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.448 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -68.46 -45.91 71.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.582 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.42 -28.62 68.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.7 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 10.6 tp -68.73 -39.43 80.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.77 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -61.79 -33.79 74.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.38 -32.66 70.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.803 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.72 -32.26 73.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.33 -32.23 73.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.74 -30.91 46.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.796 0.332 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -147.42 91.27 1.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.97 138.15 49.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 17.9 tp -138.43 114.27 9.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -96.13 84.91 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -82.53 136.85 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -98.42 35.04 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -134.25 122.43 2.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -65.78 -44.08 86.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -72.4 -42.77 64.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -57.65 -48.44 79.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.701 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -59.16 -46.77 87.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.436 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -55.27 -33.51 63.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.672 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.3 ttp -67.17 -58.33 5.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.368 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.473 ' CD2' ' CD1' ' B' ' 341' ' ' PHE . 2.8 m-85 -61.68 -28.69 69.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.759 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttt-85 -69.06 -34.58 75.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.261 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -79.78 -32.81 40.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.325 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 1.2 mt -75.31 -29.55 60.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.508 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -75.42 -42.44 53.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.709 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -32.14 66.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.706 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.34 -30.46 60.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.013 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 9.1 mt -74.38 -35.52 63.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -71.44 -28.67 64.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.78 -42.45 60.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -68.19 -30.59 69.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.81 -31.9 70.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -79.41 -30.95 42.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.075 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.835 0.35 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -136.55 103.12 5.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.61 106.18 5.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 21.3 tp -104.02 97.64 7.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -77.71 96.73 4.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -101.12 150.13 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -110.22 42.39 1.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.93 120.68 1.76 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.85 -34.64 60.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -71.43 -58.61 3.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -54.77 -45.21 74.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.788 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -59.94 -39.37 85.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.323 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.03 -41.91 79.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.663 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.1 ttp -62.09 -55.5 28.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.437 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.473 ' CD1' ' CD2' ' A' ' 341' ' ' PHE . 3.8 m-85 -58.85 -31.57 68.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.838 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -64.12 -36.5 84.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.268 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -78.84 -31.87 45.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.299 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 2.2 mp -75.79 -31.26 59.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.539 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -74.09 -40.74 62.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.706 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -72.83 -35.22 67.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.2 -29.79 54.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 15.4 mt -79.69 -24.49 41.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.8 -34.77 33.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.9 pp -78.11 -30.33 49.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.92 -29.15 39.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.785 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -78.02 -30.67 50.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.11 -31.23 61.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.953 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.408 ' CE1' ' HG3' ' D' ' 333' ' ' ARG . 24.7 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.854 0.359 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -105.55 117.59 34.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.6 m -83.86 130.89 34.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 27.7 tp -130.36 101.7 5.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.419 ' HG2' ' CD1' ' D' ' 327' ' ' TYR . 2.1 tt0 -85.62 90.11 7.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.4 mt -87.06 153.14 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.057 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.2 37.51 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.48 126.68 4.41 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.31 -40.26 58.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -73.65 -50.08 22.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 mtm105 -57.07 -41.7 79.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.738 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -61.38 -47.3 86.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.421 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.48 -34.77 62.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.713 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 3.4 ttp -66.52 -58.34 5.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.326 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.419 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 2.7 m-85 -62.38 -29.82 70.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.666 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -69.2 -33.43 73.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.191 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -78.9 -32.64 45.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.344 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.93 -34.92 59.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.495 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -71.63 -37.23 70.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.426 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.1 -43.3 65.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.592 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.0 -28.57 65.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.672 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 6.1 tp -71.29 -36.96 71.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.725 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -65.37 -31.5 72.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.19 -31.69 64.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -69.12 -31.45 70.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.3 -31.53 72.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.37 -30.75 62.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.419 ' CD1' ' HG2' ' C' ' 331' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.846 0.355 . . . . 0.0 110.847 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -140.34 140.57 35.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.31 121.21 44.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.9 tp -124.48 120.54 32.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -93.48 111.94 23.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -102.95 124.54 57.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.408 ' HG3' ' CE1' ' C' ' 327' ' ' TYR . 21.3 ttp180 -97.76 74.52 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.52 138.05 2.55 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 8.5 ttp85 -72.78 -47.9 42.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -70.71 -40.63 72.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.442 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 2.0 tpp180 -59.12 -51.43 70.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.668 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -60.33 -45.05 94.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.172 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.17 -32.76 64.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.455 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.4 ttm -67.02 -60.85 2.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.138 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.442 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 4.6 m-85 -60.62 -28.16 68.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.745 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -69.33 -36.6 77.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.01 0.433 . . . . 0.0 110.13 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -77.82 -32.27 52.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.294 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.9 mp -73.66 -31.16 63.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.501 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -72.9 -44.15 61.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.71 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -70.6 -33.79 71.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.742 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.85 -33.43 62.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.38 -31.73 67.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.67 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -66.82 -31.68 72.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.5 mt -73.17 -39.23 65.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -68.11 -31.26 70.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -67.81 -31.61 71.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.13 72.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.416 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 29.5 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.839 0.352 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -137.04 110.94 8.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 2.6 m -90.73 141.72 28.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 21.1 tp -137.64 108.39 6.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -79.87 84.14 5.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 5.0 mt -86.76 123.7 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -91.25 75.32 6.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -166.22 128.65 1.79 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -74.31 -46.32 41.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.807 0.337 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -74.68 -45.83 41.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.41 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 4.3 ttm180 -57.17 -47.99 79.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.737 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -60.04 -45.93 91.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.355 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -55.38 -34.34 64.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.573 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.33 -58.88 4.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.207 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.41 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.3 m-85 -59.2 -29.52 67.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.644 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -64.99 -39.91 94.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.947 0.403 . . . . 0.0 110.153 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -75.52 -33.52 60.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.287 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 86.6 mt -72.22 -29.14 63.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.407 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.18 -46.8 54.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.668 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -70.19 -31.18 68.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.781 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.97 -34.01 51.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.038 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 13.1 mt -77.74 -30.21 51.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.767 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -77.57 -29.88 52.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 10.0 mt -74.31 -31.71 62.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -69.57 -31.02 68.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.95 -31.62 63.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.25 -40.05 62.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.842 0.353 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.414 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 4.3 m-85 -129.53 140.74 51.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.3 149.33 24.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.7 tp -132.11 90.16 2.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -84.95 96.26 9.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -112.62 144.79 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.416 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -98.12 35.6 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.07 126.78 4.93 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -73.44 -35.45 65.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.792 0.33 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -73.43 -46.89 45.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -47.07 81.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.679 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -59.15 -46.46 88.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.382 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -54.23 -35.18 62.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.62 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.8 ttm -65.96 -59.31 3.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.216 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -61.05 -29.75 69.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.769 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -36.78 78.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.931 0.396 . . . . 0.0 110.078 179.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -80.01 -30.6 39.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.201 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 11.1 mt -76.94 -30.01 55.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.588 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -76.37 -40.58 50.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.659 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -74.3 -31.96 62.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.724 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.38 -31.11 54.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.953 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.55 -32.2 60.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.694 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -74.08 -29.19 61.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.754 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.55 -36.53 73.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -66.44 -31.94 73.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -64.87 -31.89 73.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.86 -34.11 68.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.069 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.788 0.328 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -134.36 129.84 36.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.93 101.12 11.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 5.8 tp -83.69 109.35 17.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -108.11 124.85 50.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -130.77 153.57 39.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ptt-85 -98.56 32.15 2.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.93 124.27 3.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.511 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -69.18 -33.64 73.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.737 0.304 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -76.27 -51.52 11.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -55.95 -43.8 77.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.67 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -61.58 -47.54 85.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.347 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -54.84 -33.5 61.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.662 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttm -66.58 -58.39 5.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.318 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.431 ' CD2' ' CD2' ' D' ' 341' ' ' PHE . 3.7 m-85 -60.45 -30.12 69.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.803 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -36.81 81.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.183 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -79.11 -31.1 44.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.201 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.76 -32.55 60.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.477 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -73.36 -40.88 64.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.707 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -72.08 -35.32 69.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.708 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.61 -33.36 62.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 1.7 mt -72.94 -30.18 63.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.71 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -69.12 -29.82 67.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.2 mp -64.82 -41.88 95.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -61.49 -30.92 70.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.85 -32.5 69.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.37 -33.51 65.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.782 0.325 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.403 ' CD2' ' N ' ' D' ' 328' ' ' PHE . 6.9 m-85 -107.24 124.65 50.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 1.3 m -92.8 137.0 32.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -130.6 97.12 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -67.86 117.86 10.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 30.6 mt -136.86 132.49 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -95.55 42.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -126.77 109.77 1.15 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -60.9 -48.87 79.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.852 0.358 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -68.33 -41.36 80.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -58.29 -45.61 87.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.769 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -59.33 -48.16 82.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -54.29 -33.75 59.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.631 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.3 mmm -66.61 -58.88 4.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.317 179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.431 ' CD2' ' CD2' ' C' ' 341' ' ' PHE . 3.3 m-85 -61.54 -29.75 70.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.777 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -70.17 -37.85 75.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.981 0.42 . . . . 0.0 110.17 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -78.81 -32.11 46.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.205 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.06 -28.7 60.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.504 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -75.25 -43.96 48.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.665 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -72.71 -32.08 65.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.709 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.94 -30.07 50.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.988 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 7.9 mt -76.99 -29.18 55.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -74.4 -31.32 62.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 11.6 mt -74.49 -43.75 54.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.802 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -28.62 64.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.811 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -75.32 -31.04 60.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.845 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.32 -30.95 68.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.42 ' CE2' ' HB2' ' B' ' 333' ' ' ARG . 23.3 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.834 0.35 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -129.57 122.55 29.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.24 140.69 34.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.1 tp -137.39 114.19 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -86.54 89.03 7.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 5.0 mt -94.77 130.17 43.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.013 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -95.07 43.97 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -129.4 120.67 3.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -70.0 -48.62 57.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.83 0.348 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -71.6 -48.77 45.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -56.65 -40.72 75.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.752 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -61.45 -49.07 78.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.449 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.02 -33.65 57.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.71 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.4 ttp -66.73 -57.95 6.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.388 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.69 -30.41 69.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.758 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -69.19 -42.16 76.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.083 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -73.98 -31.07 62.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.027 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.78 -40.42 69.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.38 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -64.07 -41.03 97.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.641 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -67.99 -32.5 72.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.764 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.22 -39.06 78.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.985 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.66 -40.14 92.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.738 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -62.29 -30.55 71.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.87 -49.47 61.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -31.12 72.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.71 -33.39 62.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.86 -32.02 51.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.822 0.344 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.427 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 5.8 m-85 -116.24 100.22 7.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.4 m -70.56 151.24 45.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 26.0 tp -147.53 108.51 4.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -96.41 102.71 14.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 5.1 mt -110.73 141.61 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.42 ' HB2' ' CE2' ' A' ' 327' ' ' TYR . 10.0 ttt-85 -97.77 37.89 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.09 119.92 2.63 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -69.17 -36.29 77.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.32 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -75.59 -50.88 14.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -56.38 -43.85 79.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.669 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -61.5 -46.66 89.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.385 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -55.35 -33.96 63.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.64 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 22.9 ttm -66.51 -58.02 6.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.348 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -61.6 -30.34 70.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.685 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.42 -35.2 77.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.985 0.422 . . . . 0.0 110.243 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -80.14 -31.48 39.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.313 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 1.9 mt -76.1 -29.92 58.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.571 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -75.94 -41.96 50.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.608 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -73.11 -31.96 64.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.734 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.23 -31.07 58.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.974 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -74.26 -34.23 63.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.747 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -69.29 -33.43 73.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -72.66 -45.68 57.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.772 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -72.5 -29.15 63.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.788 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -79.26 -29.69 42.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.33 -30.82 54.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.77 0.319 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -127.21 97.12 4.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.39 95.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.41 HD13 ' CE1' ' D' ' 338' ' ' PHE . 6.7 tt -89.68 115.21 26.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -91.94 133.24 35.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -125.93 133.17 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 48.2 ttp85 -98.31 33.79 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.24 129.59 4.11 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -68.6 -39.69 80.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.788 0.328 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -74.02 -49.71 23.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.3 mtm105 -56.64 -42.6 79.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.765 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -61.37 -47.66 84.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.451 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -54.87 -33.38 61.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.547 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.6 ttm -66.51 -59.1 3.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.278 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -60.92 -30.48 70.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.724 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.9 ttt-85 -67.74 -33.91 75.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.996 0.427 . . . . 0.0 110.116 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.49 -31.7 42.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.233 179.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.2 mt -74.96 -33.18 61.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.495 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.3 -41.19 63.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.59 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.2 -36.28 71.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.693 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.81 -32.08 69.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 13.4 mt -69.19 -41.08 77.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.597 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -74.4 -25.22 59.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.571 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 8.8 tp -78.51 -37.69 42.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.91 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -73.56 -30.54 63.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.71 -30.99 61.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.92 -30.73 50.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.811 0.339 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -152.05 127.3 9.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.04 125.58 44.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 6.4 tp -130.96 99.26 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -61.2 124.98 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -127.25 116.4 43.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.092 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -83.46 78.82 9.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.97 136.63 3.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.58 -64.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -60.59 -38.71 85.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.442 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -59.85 -52.16 66.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.691 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.41 ' CE1' HD13 ' C' ' 330' ' ' LEU . 8.0 t80 -61.37 -44.53 97.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.134 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -57.16 -32.42 66.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.382 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.6 mtp -67.08 -61.09 2.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.115 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.442 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 3.0 m-85 -61.93 -28.08 69.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.796 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -73.97 -40.08 63.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.969 0.414 . . . . 0.0 110.065 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -75.88 -30.87 58.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.225 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.59 -31.19 65.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.58 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -73.04 -45.96 54.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.718 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.76 -30.72 67.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.734 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.64 -33.19 58.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.14 -31.11 64.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.737 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -69.86 -29.87 67.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 11.4 mt -69.33 -43.91 72.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -61.63 -35.14 77.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.94 -33.9 70.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.45 -31.53 69.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.826 0.345 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -137.57 101.8 4.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.08 152.33 39.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.9 tp -156.92 116.95 3.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -92.77 83.25 4.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -74.76 128.69 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.65 34.06 2.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.93 107.02 0.64 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.9 ttm-85 -59.27 -31.66 69.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 111.033 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.67 -60.81 2.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ptp85 -55.82 -40.82 73.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -63.64 -39.25 93.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.304 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -57.4 -41.26 79.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.577 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.5 ttm -62.37 -55.76 24.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.418 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.431 ' CG ' ' HB3' ' B' ' 341' ' ' PHE . 3.9 m-85 -58.98 -31.34 68.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.697 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -63.4 -37.3 86.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.261 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -78.35 -32.13 48.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.363 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 2.7 mp -76.65 -29.54 56.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.639 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -75.4 -39.6 58.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.745 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -75.09 -31.35 61.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.772 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.33 -30.76 48.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.026 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 4.7 mt -77.39 -30.78 53.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.766 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -74.14 -30.48 62.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.807 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.8 mt -69.96 -34.89 73.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -63.83 -31.45 72.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -72.06 -33.69 68.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.65 -32.35 72.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.806 0.336 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -153.09 124.47 7.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.5 m -94.56 147.63 23.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.5 tp -148.29 151.69 35.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -139.06 109.07 6.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -110.33 151.38 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -106.16 34.57 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.13 131.92 6.61 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 -71.93 -52.31 17.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -64.97 -38.79 92.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.435 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 13.3 ttp180 -59.56 -52.39 65.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -61.11 -45.28 95.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.089 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -56.79 -31.91 65.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.409 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.4 ttm -67.24 -60.3 2.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.22 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.435 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 2.2 m-85 -61.42 -28.29 69.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.797 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -72.03 -37.29 69.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.949 0.404 . . . . 0.0 110.408 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.87 -32.12 51.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.32 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.06 -31.36 61.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.584 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -73.53 -41.62 62.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.61 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -70.42 -36.58 74.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.709 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.93 -31.34 67.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mt -70.76 -38.94 73.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.703 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -65.15 -31.32 72.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.79 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.04 -38.03 87.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.75 -34.45 72.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.65 -32.68 71.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.75 -30.88 45.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.865 0.364 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -139.31 98.85 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.3 m -63.53 139.82 58.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 16.5 tp -151.67 117.99 5.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.72 100.23 9.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.3 mt -98.36 137.37 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -79.67 -29.56 40.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.969 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -61.77 118.31 14.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.526 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -76.19 -39.5 54.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -68.0 -53.36 26.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -56.65 -46.92 80.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.751 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.411 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 4.1 t80 -59.24 -39.84 84.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.426 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -56.96 -41.12 77.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.642 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.2 mtm -62.94 -55.97 21.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.371 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -58.83 -30.13 67.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.735 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -63.99 -38.93 92.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.242 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -76.06 -33.69 59.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.346 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 2.5 mp -73.63 -28.75 61.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.529 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -73.52 -43.65 59.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.72 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -72.68 -32.18 65.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.749 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.84 -30.61 51.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.975 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 8.9 mt -76.66 -29.67 56.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.827 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -73.77 -31.63 63.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 9.1 mt -69.93 -38.32 76.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -67.24 -41.9 84.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.838 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.21 -31.59 72.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.92 -31.39 61.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.82 0.343 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.411 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 23.8 m-85 -153.66 104.51 2.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.75 117.96 10.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 6.6 tp -126.57 119.9 28.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -100.94 106.19 17.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mp -97.67 132.31 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -98.39 33.49 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -137.91 140.99 11.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 48.4 ttt-85 -74.62 -63.0 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.953 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.11 -35.39 73.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.452 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 0.1 OUTLIER -61.2 -53.95 50.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.658 179.833 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -61.97 -43.72 98.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.009 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -32.05 66.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.381 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.3 mtp -67.08 -60.19 2.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.218 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.452 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 4.0 m-85 -60.62 -28.47 68.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.734 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -68.2 -38.02 81.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.195 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -77.06 -32.4 56.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.277 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.15 -30.32 63.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.49 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.82 -45.66 57.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.624 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -68.98 -32.74 72.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.769 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.46 -31.08 65.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.961 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 17.0 mt -71.46 -40.02 70.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.74 -31.98 73.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.29 -42.3 83.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -60.38 -35.93 76.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -66.57 -34.6 78.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.28 -30.95 54.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.407 ' CE1' ' HG3' ' B' ' 333' ' ' ARG . 12.8 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.86 0.362 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -135.75 117.28 14.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 2.0 m -81.78 135.97 35.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 20.3 tp -137.53 107.56 6.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -73.12 93.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.418 HD11 ' CD1' ' A' ' 341' ' ' PHE . 27.1 mm -75.03 111.17 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.412 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 2.0 ttt180 -91.74 76.54 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.62 124.79 0.75 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 3.0 ptt-85 -60.19 -45.18 94.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -74.39 -44.65 51.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.421 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -57.48 -47.86 80.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.767 179.852 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.418 ' CE1' HD13 ' B' ' 330' ' ' LEU . 10.2 t80 -60.15 -46.36 89.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.355 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -55.33 -33.79 63.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.595 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.1 ttp -66.36 -59.04 4.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.285 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.424 ' HB3' ' CG ' ' B' ' 341' ' ' PHE . 3.1 m-85 -63.14 -29.97 71.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.781 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -72.51 -33.66 67.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 0.0 110.202 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -81.25 -31.34 33.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.293 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 37.2 mt -77.34 -30.52 53.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.537 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -76.74 -39.67 51.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.533 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -70.59 -31.73 68.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.683 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . 0.4 ' CB ' ' CE ' ' D' ' 351' ' ' LYS . . . -72.61 -39.49 67.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mt -67.73 -33.38 74.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.674 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -65.47 -29.98 70.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.799 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.29 -50.52 59.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.66 -30.24 68.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -75.97 -31.11 58.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.17 -37.22 54.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.412 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 54.3 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.797 0.332 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -144.71 102.35 3.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.89 125.79 28.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.418 HD13 ' CE1' ' A' ' 338' ' ' PHE . 2.2 tt -128.29 106.38 8.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -83.22 115.1 21.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -108.49 145.78 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.407 ' HG3' ' CE1' ' A' ' 327' ' ' TYR . 0.2 OUTLIER -99.17 36.11 1.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -144.3 127.12 2.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -31.4 66.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -74.15 -47.72 34.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.67 -47.93 78.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.771 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -59.42 -44.91 92.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.464 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -55.56 -36.45 66.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.61 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -66.65 -58.79 4.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.19 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.424 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 3.9 m-85 -61.5 -27.92 68.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.749 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 6.8 ttt85 -69.25 -35.85 76.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.934 0.397 . . . . 0.0 110.117 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -79.13 -31.44 44.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.196 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.02 -31.93 64.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.439 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.87 -46.81 50.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.646 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -71.75 -30.89 66.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.732 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.26 -30.2 54.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.992 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.99 -32.74 61.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.793 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -70.06 -31.26 68.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.2 mt -67.97 -37.88 82.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.802 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -31.57 70.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.791 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.29 -34.89 74.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.64 -30.89 57.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.41 ' CZ ' ' HD2' ' D' ' 333' ' ' ARG . 11.7 m-85 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.872 0.368 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.417 ' HB3' ' CD1' ' D' ' 338' ' ' PHE . 66.6 m-85 -150.03 91.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.56 152.83 44.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 5.4 tp -156.36 104.82 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -96.81 125.3 41.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -127.5 149.41 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.64 33.21 2.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -126.11 138.38 10.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -76.09 -66.14 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.33 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -59.74 -38.37 81.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.453 ' HG3' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -60.11 -53.15 61.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.558 179.761 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.45 ' CD2' ' CB ' ' D' ' 328' ' ' PHE . 8.3 t80 -62.11 -45.3 94.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.897 179.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -56.64 -31.38 64.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.272 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 3.7 ttm -67.32 -61.78 1.75 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.099 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.453 ' CZ ' ' HG3' ' C' ' 337' ' ' ARG . 2.1 m-85 -61.05 -28.06 68.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.804 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -76.41 -41.96 45.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.225 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -75.74 -29.98 59.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.189 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.0 -33.93 63.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.562 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -73.23 -43.43 61.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.757 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -74.65 -31.07 61.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.68 -30.71 41.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 15.8 mt -78.13 -28.97 48.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.799 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.7 -30.53 61.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.739 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.5 mt -68.89 -33.83 74.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.786 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -62.91 -33.84 76.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.54 -33.19 74.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.86 -31.07 51.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.943 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.765 0.317 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.45 ' CB ' ' CD2' ' C' ' 338' ' ' PHE . 7.2 m-85 -137.99 123.0 19.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.15 142.17 30.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 17.6 tp -139.72 119.75 13.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.64 93.7 5.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -98.51 136.53 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.41 ' HD2' ' CZ ' ' C' ' 327' ' ' TYR . 23.2 mtp180 -95.92 69.92 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -165.36 133.26 2.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.485 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 12.4 ptt-85 -76.46 -38.25 55.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.772 0.32 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -76.86 -43.26 36.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.435 ' HG3' ' CE2' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -59.02 -51.4 70.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.678 179.826 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.417 ' CD1' ' HB3' ' C' ' 328' ' ' PHE . 7.1 t80 -60.62 -43.17 97.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.224 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -56.62 -34.15 66.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.465 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.5 ttp -66.95 -60.74 2.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.163 179.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.435 ' CE2' ' HG3' ' D' ' 337' ' ' ARG . 3.4 m-85 -61.48 -27.41 68.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.703 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -33.01 72.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.107 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -77.11 -33.6 56.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.359 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 73.9 mt -72.3 -36.01 68.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.544 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -68.91 -41.56 78.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.536 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -66.4 -41.03 89.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.685 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.85 -17.27 60.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.143 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.405 ' HA ' ' HG2' ' D' ' 351' ' ' LYS . 4.3 tp -84.88 -27.38 26.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.836 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -77.66 -29.04 51.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.268 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 pp -77.35 -34.35 55.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.741 0.305 . . . . 0.0 111.072 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.405 ' HG2' ' HA ' ' D' ' 348' ' ' LEU . 0.8 OUTLIER -74.44 -29.73 61.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.781 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -71.56 -31.14 66.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.58 -31.37 70.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.756 0.312 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.413 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 31.7 m-85 -132.7 94.55 3.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 18.3 m -79.6 105.33 10.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 21.8 tp -99.67 111.1 23.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -90.31 83.78 5.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -78.42 144.72 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -98.68 32.36 2.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.33 114.2 1.5 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -59.73 -46.72 88.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -70.38 -41.82 72.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -58.18 -45.32 87.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.75 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -59.97 -48.89 79.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.468 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -54.28 -32.92 57.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.55 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.5 ttm -66.87 -59.14 3.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.273 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.418 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 3.8 m-85 -59.62 -28.71 67.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.814 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -37.41 83.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.191 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -77.93 -31.93 51.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.311 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . 0.4 ' CD2' ' CD2' ' D' ' 344' ' ' LEU . 2.6 mp -75.44 -30.76 60.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.61 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -74.34 -40.61 62.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.766 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -73.01 -34.12 66.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.773 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.64 -32.78 58.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.4 mt -74.78 -28.23 60.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.704 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -71.46 -29.47 64.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.767 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.56 -48.18 50.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -67.58 -30.29 69.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -73.06 -31.23 64.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.67 -31.1 69.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.791 0.329 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -145.54 135.22 23.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.45 114.05 28.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.98 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.7 tp -107.07 97.29 7.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -77.7 102.2 6.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -113.32 141.5 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.065 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -99.63 36.74 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -127.4 120.98 3.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -71.44 -36.19 71.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -76.35 -51.25 12.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 mtm105 -56.34 -43.3 78.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.693 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.413 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 11.8 t80 -62.04 -47.47 84.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.374 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -55.27 -32.61 62.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.561 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.4 ttm -66.88 -59.09 3.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.254 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.418 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 4.3 m-85 -60.59 -30.53 69.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.775 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -68.01 -34.14 75.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.974 0.416 . . . . 0.0 110.105 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -81.3 -31.49 33.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.201 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 1.8 mp -77.14 -32.3 56.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.444 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -77.27 -40.31 45.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.523 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.78 -29.76 61.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.583 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.96 -31.94 59.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.939 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 13.3 mt -74.3 -37.95 63.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.736 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -72.38 -30.23 64.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.754 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -32.34 68.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -66.22 -31.61 72.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -68.06 -32.99 73.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.72 -31.25 72.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.927 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.851 0.357 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.42 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 21.1 m-85 -121.94 125.78 47.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 8.0 m -82.15 105.23 13.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 14.3 tp -106.59 116.09 31.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.33 92.94 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 24.0 mm -81.88 119.44 31.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -98.42 30.61 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -137.0 119.96 2.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.435 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -59.89 -44.75 94.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.768 0.318 . . . . 0.0 110.935 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.88 -43.26 62.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.42 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 4.4 ttm180 -57.25 -47.64 80.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.743 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.417 ' CE2' HD12 ' D' ' 330' ' ' LEU . 12.3 t80 -59.63 -48.05 83.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.337 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -32.99 59.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.649 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.7 ttm -66.75 -58.71 4.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.354 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.42 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.6 m-85 -61.27 -29.8 70.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.859 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -36.48 75.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.968 0.413 . . . . 0.0 110.154 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -79.89 -30.91 40.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.248 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.55 -29.86 56.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.515 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -76.17 -41.47 49.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.723 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.27 -32.03 62.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.704 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.82 -31.03 51.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 14.8 mt -75.76 -30.96 59.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.745 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -71.24 -30.53 66.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.22 -43.21 74.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -62.27 -31.01 71.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.98 -31.51 68.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.5 -41.7 62.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.802 0.334 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -134.32 95.27 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.4 104.54 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.417 HD12 ' CE2' ' C' ' 338' ' ' PHE . 32.3 tp -108.26 122.63 47.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.12 83.12 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.801 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -81.8 142.75 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -104.99 -174.42 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 63.48 122.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 7.5 tpt85 -64.16 -30.12 71.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.73 0.3 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -74.19 -56.21 5.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.421 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 1.2 ttm180 -55.5 -42.01 73.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.717 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.42 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 9.1 t80 -63.06 -45.34 92.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.323 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.65 -34.25 64.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.597 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttm -66.67 -58.73 4.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.265 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.421 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 2.9 m-85 -63.42 -29.61 70.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.681 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.403 ' HG3' ' CE1' ' D' ' 338' ' ' PHE . 2.3 tmt_? -71.29 -33.98 70.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.97 0.414 . . . . 0.0 110.168 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -81.95 -31.2 31.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.235 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . 0.4 ' CD2' ' CD2' ' A' ' 344' ' ' LEU . 12.0 mt -78.35 -29.32 47.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.569 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -78.58 -38.75 39.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.682 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -76.1 -30.25 58.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.638 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.11 -31.53 50.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.27 -33.4 59.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.701 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -75.91 -26.48 57.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.715 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.18 -37.68 61.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -68.76 -31.49 70.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.4 -31.17 68.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.06 -31.26 69.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.838 0.351 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.429 ' N ' ' CD1' ' A' ' 328' ' ' PHE . 4.2 m-85 -110.92 127.59 55.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 3.8 m -82.23 144.67 30.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 18.2 tp -147.84 103.47 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -83.91 87.28 7.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -89.21 142.87 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -106.11 77.55 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.33 125.77 1.07 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -74.17 -34.78 63.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.763 0.316 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -75.25 -52.63 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.4 ttm105 -56.45 -39.33 72.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.732 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.408 ' CE1' ' HG3' ' A' ' 342' ' ' ARG . 12.1 t80 -63.31 -48.49 77.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.319 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -53.98 -34.49 59.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.638 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttm -65.49 -58.38 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.251 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.501 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 3.6 m-85 -60.44 -31.93 70.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.408 ' HG3' ' CE1' ' A' ' 338' ' ' PHE . 0.2 OUTLIER -68.81 -36.22 77.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.963 0.411 . . . . 0.0 110.233 179.491 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -80.27 -29.93 38.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.32 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 1.3 mp -78.47 -32.59 48.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.566 179.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -78.55 -37.87 41.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.601 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -77.57 -28.77 51.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.605 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.86 -32.28 40.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.9 mt -77.78 -31.28 51.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.632 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -75.4 -26.16 58.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.664 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -39.61 68.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -66.59 -29.29 69.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -69.94 -31.83 69.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.48 -31.3 60.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.812 0.339 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 6.3 m-85 -124.95 128.68 48.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.81 132.08 41.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 23.3 tp -141.01 113.45 8.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -92.68 87.69 5.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -72.42 137.14 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.27 79.0 2.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.87 127.78 1.0 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.537 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -61.62 -58.09 9.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -61.93 -35.89 79.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.459 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -61.23 -54.56 42.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.558 179.874 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -60.95 -43.39 98.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.135 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -32.11 67.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.414 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.4 ttm -67.63 -60.35 2.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.235 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.501 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 3.5 m-85 -61.13 -26.84 67.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.736 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -69.97 -35.82 74.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.271 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.0 -31.92 39.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.273 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.43 -30.57 57.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.5 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -75.15 -40.67 59.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.667 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -71.21 -33.73 70.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.707 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.0 -34.25 68.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.58 -38.38 77.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.649 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -63.55 -29.99 71.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.782 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.44 -50.12 54.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -61.54 -30.91 70.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -67.09 -31.95 72.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.69 -31.52 46.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.075 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.826 0.346 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.419 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 17.1 m-85 -153.31 103.82 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.9 m -61.28 142.85 56.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 17.5 tp -147.79 105.66 3.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -85.48 83.68 7.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -69.16 128.33 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.444 ' CG ' ' CE1' ' D' ' 327' ' ' TYR . 0.0 OUTLIER -99.98 74.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 169.09 119.77 0.5 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.444 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.0 ptm85 -60.25 -35.19 74.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -74.3 -48.93 25.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -57.06 -42.33 80.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.722 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -61.56 -48.17 82.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.444 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -54.75 -33.22 60.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.591 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.9 ttm -66.71 -58.5 4.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.339 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.63 -30.0 69.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.737 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -35.63 79.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.177 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -79.57 -31.49 41.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.289 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.21 -30.0 60.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.588 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -75.68 -42.91 49.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.71 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.57 -30.17 62.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.72 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.06 -30.79 49.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.03 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -76.48 -31.91 58.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.754 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.76 -31.12 64.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.817 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 mt -68.97 -36.53 78.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -62.66 -32.49 73.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.5 -31.49 72.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.12 -31.79 73.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.444 ' CE1' ' CG ' ' C' ' 333' ' ' ARG . 43.7 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.802 0.334 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -121.03 103.05 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.83 134.21 49.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.3 tp -141.82 115.41 9.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -90.1 132.18 35.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -137.26 129.96 43.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 21.0 ttp85 -72.68 -31.13 64.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -61.9 116.74 9.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.514 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 37.8 ttp85 -74.02 -35.77 64.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.332 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -73.03 -47.59 43.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.7 mtm105 -58.71 -41.25 85.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.689 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.419 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 11.6 t80 -61.45 -47.12 87.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.482 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -54.33 -36.48 63.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.68 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.5 ttm -65.99 -57.85 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.277 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.38 -29.88 70.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.684 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -69.06 -34.81 75.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.204 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -79.84 -31.54 40.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.288 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.38 -30.72 60.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.562 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -75.45 -42.04 54.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.691 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -71.82 -30.33 65.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.642 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.79 -34.58 64.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.03 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.27 -37.84 71.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.774 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -70.67 -30.44 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -38.77 69.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -66.19 -31.46 72.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.98 -36.17 79.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.21 -31.53 72.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.064 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.859 0.361 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.405 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 15.6 m-85 -153.17 98.95 2.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.6 134.66 53.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 6.9 tp -141.48 124.09 15.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -104.5 140.9 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -133.5 135.85 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.24 35.17 2.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -145.32 139.81 8.61 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -33.57 48.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.766 0.317 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.39 -34.91 31.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.722 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 0.1 OUTLIER -65.87 -50.63 63.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.471 179.671 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.42 ' CE2' HD23 ' B' ' 330' ' ' LEU . 5.9 t80 -64.33 -42.54 96.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.927 179.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -58.42 -32.34 68.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.333 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 3.8 ttp -66.98 -60.03 2.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.248 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.445 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 3.4 m-85 -62.13 -28.88 69.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.757 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -71.37 -37.57 71.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.922 0.392 . . . . 0.0 110.121 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -78.11 -31.23 49.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.235 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . 0.405 ' CD2' ' CD2' ' D' ' 344' ' ' LEU . 62.1 mt -75.04 -30.45 61.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.587 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -74.53 -42.51 58.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.714 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -71.48 -32.41 68.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.23 -32.0 61.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.047 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.32 -33.68 65.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.804 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -68.49 -31.59 70.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 mt -70.25 -32.32 70.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -65.69 -31.76 72.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.819 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.58 -31.95 72.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.75 -31.24 71.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.811 0.339 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -129.89 106.06 8.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.49 152.75 42.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.42 HD23 ' CE2' ' A' ' 338' ' ' PHE . 12.1 tp -157.21 121.67 4.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -99.87 91.0 4.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 26.4 mm -78.89 137.71 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.9 30.63 4.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -123.98 136.66 10.35 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.428 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -75.81 -67.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -61.47 -40.97 96.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.813 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.474 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -59.23 -51.14 71.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.657 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.405 ' CD2' ' HB2' ' A' ' 328' ' ' PHE . 8.7 t80 -61.6 -45.19 95.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.132 179.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.29 -32.24 64.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.407 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -67.01 -61.13 2.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.164 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.474 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 5.3 m-85 -59.55 -28.42 67.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.602 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.0 ttp85 -65.94 -35.46 80.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.134 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.1 -32.55 56.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.346 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 2.5 mp -73.15 -33.01 65.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.521 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -71.49 -42.92 67.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.762 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -71.58 -31.15 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.23 -33.6 59.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.039 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.94 -30.71 62.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -71.36 -30.57 66.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.773 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 mt -66.94 -38.65 86.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.807 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 49.6 mttt -59.9 -31.17 69.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -74.09 -34.37 63.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.36 -37.92 63.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.789 0.328 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -150.44 88.6 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 2.4 m -60.9 126.34 27.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -121.07 110.85 16.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -84.15 115.5 22.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.7 mt -124.6 130.07 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.043 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.409 ' HB3' ' CE2' ' D' ' 327' ' ' TYR . 13.0 ptt180 -95.86 78.28 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.93 128.32 1.28 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.04 -33.17 63.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.11 -54.01 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -56.32 -40.92 75.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.684 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.421 ' CE1' HD13 ' D' ' 330' ' ' LEU . 11.3 t80 -63.35 -47.01 83.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.384 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -55.6 -32.81 63.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.7 ttm -67.3 -58.51 4.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.361 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.18 -29.15 69.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.741 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -68.28 -34.12 75.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.212 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -80.16 -32.48 38.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.279 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.67 -30.74 56.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.551 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -75.78 -38.92 57.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.661 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -71.57 -31.9 67.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.73 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.98 -37.12 67.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.64 -35.02 74.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.814 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -72.87 -30.65 64.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.04 -32.93 69.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -66.34 -31.47 72.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -65.05 -32.31 73.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.09 -38.69 92.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.409 ' CE2' ' HB3' ' C' ' 333' ' ' ARG . 50.5 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.825 0.345 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -137.12 97.84 3.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.96 109.23 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.421 HD13 ' CE1' ' C' ' 338' ' ' PHE . 6.9 tt -103.05 100.98 10.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -63.65 111.41 2.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -112.57 127.34 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.3 ptt85 -106.53 83.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.84 135.05 1.82 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -32.98 58.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.754 0.311 . . . . 0.0 110.962 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -74.88 -54.52 7.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -56.14 -47.35 78.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.744 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -59.87 -40.42 88.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.312 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -57.21 -39.89 76.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.673 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 4.2 mtm -63.51 -55.4 24.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.39 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -59.34 -32.58 70.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.765 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -64.34 -39.6 94.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.189 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -77.97 -30.73 50.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.243 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . 0.405 ' CD2' ' CD2' ' A' ' 344' ' ' LEU . 1.8 mp -76.97 -31.87 56.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.551 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -73.86 -38.36 64.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.697 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -75.3 -30.24 60.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.737 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.36 -28.55 56.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.997 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -76.8 -40.06 49.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -28.7 61.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.816 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.8 mt -76.08 -30.75 58.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.793 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -71.01 -30.97 67.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.2 -31.56 64.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.1 -41.42 61.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.843 0.354 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -143.82 102.16 3.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 7.4 m -64.09 150.82 44.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.6 tp -146.23 106.14 3.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -105.93 118.53 36.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.0 mp -125.64 152.97 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -103.56 33.31 3.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -128.52 134.03 7.92 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.484 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.66 -47.96 24.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.347 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -69.2 -39.72 78.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.441 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 0.9 OUTLIER -59.79 -52.95 63.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.642 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.445 ' CD2' ' CB ' ' B' ' 328' ' ' PHE . 7.8 t80 -61.33 -44.27 97.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.016 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -56.65 -32.48 65.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.379 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.6 ttp -66.79 -60.86 2.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.158 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.441 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 6.0 m-85 -59.04 -27.91 65.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -35.98 80.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.91 0.386 . . . . 0.0 110.122 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -76.85 -36.97 56.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.271 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.51 -28.84 65.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.363 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -72.06 -47.37 52.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.719 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -69.65 -31.32 69.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.805 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.44 -31.05 57.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -74.88 -31.37 61.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -72.01 -30.97 65.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.75 -40.21 79.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -64.92 -40.93 95.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -63.92 -31.38 72.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.32 87.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.833 0.349 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.445 ' CB ' ' CD2' ' A' ' 338' ' ' PHE . 20.0 m-85 -137.96 99.75 3.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.91 152.94 38.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 21.7 tp -157.98 112.44 2.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -96.28 145.83 25.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.4 mp -144.48 149.62 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -102.24 35.83 2.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -130.41 137.32 9.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -74.41 -60.76 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -59.58 -34.56 72.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.445 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -61.28 -54.45 43.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.642 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -60.76 -43.23 98.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.089 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.57 -32.33 67.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.324 179.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.84 -61.31 1.93 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.192 179.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.445 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 2.0 m-85 -62.92 -24.81 68.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.723 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.13 -39.1 60.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.23 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -75.93 -33.09 59.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.423 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 1.5 mp -74.22 -31.42 62.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.478 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -71.41 -41.47 69.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.747 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.6 -32.79 66.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.66 -31.95 57.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -74.77 -30.39 61.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.783 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -71.51 -31.07 66.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -67.22 -37.73 84.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -60.71 -31.94 71.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.54 -36.55 78.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.61 66.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.786 0.327 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -111.88 104.68 12.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.1 144.24 57.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.964 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 18.6 tp -144.33 97.52 3.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -77.75 87.87 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 21.7 mt -92.32 135.74 26.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -101.6 31.35 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.2 108.16 0.79 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.525 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -32.14 70.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -76.28 -54.07 7.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttm105 -56.64 -40.21 75.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.64 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -62.69 -47.02 85.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.365 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.6 -34.37 61.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.682 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.8 mtm -66.46 -58.68 4.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.301 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -60.29 -29.1 68.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.727 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -36.1 80.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.21 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -79.89 -32.2 40.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.273 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.5 mt -76.28 -28.73 57.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.507 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -76.39 -41.79 46.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.714 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -74.25 -31.97 62.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.709 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.92 -30.69 50.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.965 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 11.7 mt -76.33 -30.79 57.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.781 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -72.42 -31.04 65.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.8 mt -67.72 -34.27 76.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -61.96 -35.55 78.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -32.01 71.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.85 -43.05 63.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.864 0.364 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -141.87 104.78 4.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.15 127.81 33.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 37.7 tp -125.96 118.57 25.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -93.0 87.02 5.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -80.66 116.45 24.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.7 79.41 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 167.29 131.26 1.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -32.88 61.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -75.86 -50.03 16.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -56.87 -45.23 82.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.668 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -60.81 -45.91 92.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.337 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.91 -34.41 63.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.632 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.54 -59.34 3.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.284 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.54 -28.54 68.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.706 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -67.99 -33.79 75.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.184 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.51 -32.26 36.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.272 179.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.13 -32.3 59.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.438 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -74.18 -40.38 62.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.713 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -72.79 -32.08 65.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.711 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.53 -31.28 63.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.967 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.83 -40.28 65.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.748 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -66.71 -30.13 70.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.8 mt -72.75 -45.4 58.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -70.25 -30.73 67.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -75.78 -30.98 59.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.84 -31.11 61.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -179.99 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.798 0.333 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -129.52 107.97 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 6.0 m -77.75 146.2 36.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 1.2 tt -148.29 97.43 2.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -75.89 106.14 7.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.4 mp -99.91 138.39 24.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.145 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -99.46 31.04 3.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -147.63 127.11 2.54 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 10.2 ttt85 -70.39 -36.02 73.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -67.11 -47.31 71.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.421 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 0.1 OUTLIER -56.93 -47.66 80.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.692 179.905 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.419 ' CE2' ' HD3' ' A' ' 342' ' ' ARG . 8.5 t80 -60.01 -45.46 92.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.358 179.683 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -55.35 -34.36 64.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.615 179.723 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.3 ttp -66.92 -59.2 3.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.257 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.428 ' CD2' ' CD2' ' B' ' 341' ' ' PHE . 3.7 m-85 -60.47 -27.45 67.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.705 179.557 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.419 ' HD3' ' CE2' ' A' ' 338' ' ' PHE . 9.8 tpt85 -68.02 -37.49 81.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.964 0.411 . . . . 0.0 110.113 179.374 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -76.94 -32.69 57.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.342 179.462 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.78 -31.91 63.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.469 179.551 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -71.37 -43.07 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.682 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -69.68 -37.47 76.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.766 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.38 -30.08 65.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 6.4 mt -71.79 -37.09 70.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.809 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -31.82 71.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 mt -66.85 -35.49 80.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -60.86 -37.71 83.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.76 -31.64 71.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.03 -32.99 65.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.973 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.85 0.357 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -150.33 124.44 9.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 10.6 m -90.43 108.96 20.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 33.1 tp -103.95 111.11 23.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -96.79 105.0 17.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mt -103.96 139.59 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -98.2 30.1 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -128.71 129.63 6.25 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.366 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 10.7 ttm-85 -77.8 -51.1 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.742 0.306 . . . . 0.0 111.143 -179.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -60.16 -50.76 72.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.078 -179.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -60.26 -46.19 90.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.552 179.803 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -60.61 -39.57 88.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.293 179.539 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.34 -40.1 77.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.756 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.7 mtm -63.44 -55.96 20.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.39 179.583 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.428 ' CD2' ' CD2' ' A' ' 341' ' ' PHE . 4.0 m-85 -59.59 -31.13 69.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.786 179.771 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -37.97 88.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.944 0.402 . . . . 0.0 110.26 179.496 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -79.19 -30.68 43.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.202 179.267 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.42 -31.57 57.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.474 179.582 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -74.82 -41.34 60.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.656 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -72.5 -32.69 66.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.767 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.32 -31.84 60.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.953 179.836 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.84 -34.85 67.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.661 179.82 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -66.67 -31.34 71.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.808 179.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.85 -42.6 63.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.787 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -68.58 -31.3 70.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -70.88 -31.01 67.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.28 -43.67 66.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.983 179.985 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.788 0.328 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -128.15 110.55 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 4.5 m -98.36 134.08 41.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 16.0 tp -123.81 110.07 14.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -88.93 85.88 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.2 mt -83.03 138.07 19.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.065 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 9.0 ptt180 -100.11 36.7 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -135.16 116.35 1.54 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.442 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.95 -35.11 74.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -78.84 -47.24 17.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.463 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -57.67 -49.58 76.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.719 179.736 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -61.88 -44.24 97.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.103 179.469 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -56.65 -32.17 65.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.389 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -61.71 1.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.993 179.31 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.466 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 6.7 m-85 -58.35 -28.51 65.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.75 179.428 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -65.88 -39.58 90.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.93 0.395 . . . . 0.0 110.121 179.288 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -75.6 -33.42 60.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.22 179.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -30.47 65.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.401 179.477 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.8 -46.8 62.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.595 179.729 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -24.88 62.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.898 179.818 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.25 -30.94 48.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.97 179.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -75.87 -40.66 54.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.701 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.03 -28.46 64.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.745 179.755 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 5.7 mt -71.21 -31.61 67.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.757 179.794 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -64.37 -35.76 81.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.81 -31.18 69.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.88 -34.72 73.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.985 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.788 0.328 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -133.96 130.67 38.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.95 111.79 24.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 39.7 tp -105.81 89.36 3.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -72.66 115.83 12.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 22.9 mt -124.38 139.14 51.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ptp85 -98.52 30.94 3.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -128.3 119.64 3.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.413 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -65.38 -47.58 75.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.55 -45.43 90.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.468 ' HG3' ' CE2' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -58.3 -50.1 74.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.695 179.891 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -62.14 -43.79 98.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.143 179.425 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -56.85 -32.59 65.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.389 179.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.4 ttm -67.19 -61.42 1.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.15 179.294 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.468 ' CE2' ' HG3' ' D' ' 337' ' ' ARG . 4.7 m-85 -60.35 -26.8 66.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.772 179.532 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -69.57 -33.29 72.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.241 179.415 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -79.88 -32.57 40.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.412 179.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 3.6 mp -76.66 -30.23 56.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.696 179.67 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -77.12 -37.74 53.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.765 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -74.46 -29.05 61.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . 0.404 ' HA ' ' CD2' ' D' ' 350' ' ' LEU . . . -82.15 -28.86 31.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.042 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 9.8 mt -81.32 -25.44 36.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -81.62 -30.82 32.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.071 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' D' ' 347' ' ' ALA . 4.3 pp -79.3 -25.41 42.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.895 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -78.25 -30.17 48.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.837 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.67 -30.95 46.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.72 -32.5 46.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.98 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.412 ' CE1' ' HG3' ' B' ' 333' ' ' ARG . 76.3 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.844 0.354 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 328' ' ' PHE . 4.7 m-85 -125.21 105.11 8.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.54 152.86 24.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.41 HD12 ' CE2' ' B' ' 338' ' ' PHE . 17.3 tp -155.88 117.65 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -103.05 83.8 2.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -84.56 138.03 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 8.2 ptt85 -95.97 61.08 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -159.49 107.4 0.32 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.422 ' CD ' ' CZ ' ' B' ' 328' ' ' PHE . 15.7 tpt85 -60.39 -49.78 76.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.88 -46.68 83.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.416 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 5.1 ttm180 -57.11 -43.91 82.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.799 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.419 ' CE2' HD21 ' B' ' 330' ' ' LEU . 11.7 t80 -60.32 -47.26 86.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.413 179.752 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -54.2 -35.24 62.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.633 179.755 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -65.44 -58.85 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.224 179.478 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.441 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 4.9 m-85 -59.72 -30.52 68.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.946 179.756 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -68.69 -36.89 79.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.93 0.395 . . . . 0.0 110.242 179.488 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.93 -29.36 39.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.217 179.306 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -31.09 56.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.646 179.582 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -76.28 -41.1 49.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.764 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -75.88 -29.95 58.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.732 179.802 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.58 -30.72 36.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.011 179.78 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 16.3 mt -79.39 -27.3 41.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -77.46 -28.4 52.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.77 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 5.8 mt -73.76 -38.88 64.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -66.38 -30.51 70.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.53 -31.79 73.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.887 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.47 -31.04 60.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.798 0.333 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.422 ' CZ ' ' CD ' ' A' ' 335' ' ' ARG . 15.5 m-85 -132.11 136.96 47.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.95 148.24 31.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.419 HD21 ' CE2' ' A' ' 338' ' ' PHE . 32.1 tp -155.42 113.17 3.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -89.32 98.16 11.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 25.7 mm -84.86 118.02 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.412 ' HG3' ' CE1' ' A' ' 327' ' ' TYR . 12.9 ttt180 -91.07 62.12 4.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -174.5 126.82 1.23 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.86 -40.87 83.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -76.17 -45.65 32.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.47 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -58.56 -51.17 71.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 179.801 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.41 ' CE2' HD12 ' A' ' 330' ' ' LEU . 6.3 t80 -62.73 -42.97 99.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.079 179.346 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -57.66 -32.61 67.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.414 179.485 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.15 -60.62 2.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.173 179.342 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.47 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 5.3 m-85 -59.12 -27.08 65.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.798 179.556 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 26.9 ttt-85 -67.37 -39.24 85.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.198 179.371 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -77.66 -30.98 52.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.241 179.314 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 9.8 mt -74.5 -30.27 61.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.515 179.554 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -73.86 -44.48 55.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.721 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -72.85 -30.54 64.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.708 179.779 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.43 -30.47 47.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.008 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 1.4 mt -77.1 -29.66 54.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.65 -29.43 61.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.831 179.855 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 11.8 mt -72.42 -41.38 66.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 6.8 ptmm? -64.54 -30.47 71.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.739 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.51 -33.05 74.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 179.887 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.57 -30.64 69.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.045 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.958 179.946 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.405 ' CZ ' ' HG3' ' D' ' 333' ' ' ARG . 17.6 m-85 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.834 0.349 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.41 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 25.3 m-85 -98.27 100.36 11.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.81 139.55 50.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.5 tp -136.24 94.41 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -71.32 84.14 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.7 mt -89.08 134.29 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -96.85 40.89 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.16 116.48 1.47 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.458 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -65.17 -37.32 87.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.51 -47.24 34.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -56.57 -47.65 79.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.723 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -59.47 -46.21 89.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.414 179.61 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -54.8 -34.34 62.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.625 179.671 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.7 mtm -66.41 -59.22 3.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.268 179.442 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.425 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 5.3 m-85 -59.73 -28.82 67.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.757 179.638 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 11.6 ttp85 -66.81 -35.46 80.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.952 0.406 . . . . 0.0 110.212 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -80.58 -31.56 36.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.287 179.351 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 13.7 mt -76.93 -29.07 55.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.572 179.509 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -76.92 -41.18 44.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.687 179.827 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -74.73 -30.42 61.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.757 179.839 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.08 -30.43 43.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.044 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 2.6 mt -79.14 -28.75 42.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -80.94 -30.49 35.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.757 179.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -79.43 -33.42 42.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -28.81 55.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 179.845 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.11 -30.95 58.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.93 65.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.037 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.979 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.807 0.337 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -128.04 111.26 13.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 4.3 m -85.99 108.13 18.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 1.4 tt -108.86 110.54 21.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -83.51 84.52 7.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -70.26 127.48 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.405 ' HG3' ' CZ ' ' C' ' 327' ' ' TYR . 19.4 ttt180 -99.81 75.17 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.23 139.84 4.1 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 10.0 tpt85 -75.38 -56.48 4.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.762 0.315 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -68.4 -42.97 78.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -49.31 77.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.71 179.861 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.41 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 10.2 t80 -59.58 -46.27 89.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.337 179.603 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.43 -34.14 64.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.638 179.665 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.1 ttm -66.29 -58.38 5.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.296 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.425 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 3.3 m-85 -60.56 -29.94 69.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.797 179.692 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -68.34 -38.25 81.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.194 179.446 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -77.49 -32.23 54.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.31 179.334 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 79.6 mt -74.27 -30.63 62.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.496 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -72.7 -43.88 62.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.679 179.679 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -71.2 -36.25 71.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.775 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.05 -26.58 59.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 1.5 mt -75.39 -34.97 61.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.56 -26.63 65.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.974 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 8.0 mt -71.79 -46.02 59.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.989 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -62.94 -29.71 71.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.11 -31.7 72.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.55 -31.13 70.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.973 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.413 ' CE1' ' HD2' ' B' ' 333' ' ' ARG . 5.8 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.795 0.331 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -123.65 97.93 5.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.42 128.05 34.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.2 tp -131.94 114.2 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -81.45 134.09 35.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -136.77 135.27 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.48 33.31 2.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.51 120.63 2.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -70.6 -40.03 73.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.12 -57.75 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -55.32 -46.64 76.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.72 179.847 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.416 ' CZ ' ' HD3' ' A' ' 342' ' ' ARG . 3.9 t80 -60.75 -39.78 89.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.326 179.612 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.9 -39.24 77.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.63 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.8 ttm -63.8 -55.58 21.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.432 179.646 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.47 -32.57 71.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.726 179.716 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.416 ' HD3' ' CZ ' ' A' ' 338' ' ' PHE . 28.8 tpt85 -65.18 -34.9 79.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.955 0.407 . . . . 0.0 110.242 179.483 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -79.86 -31.56 40.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.271 179.378 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.32 -30.42 60.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.524 179.618 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -75.21 -43.13 53.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.61 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.68 -31.7 67.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.677 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.82 -31.39 63.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.96 179.762 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 32.4 mt -72.13 -39.5 68.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.771 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -69.12 -31.22 69.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.03 -38.73 72.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -66.0 -37.0 84.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -68.12 -34.34 76.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.15 -31.19 62.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.981 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.826 0.346 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -147.63 104.9 3.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.75 112.77 13.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.409 HD11 ' CD2' ' A' ' 338' ' ' PHE . 2.1 tt -106.72 104.74 14.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -76.62 102.62 6.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.4 mp -97.12 118.51 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.413 ' HD2' ' CE1' ' A' ' 327' ' ' TYR . 4.3 mtp180 -92.15 75.27 5.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 179.898 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 170.13 134.87 1.81 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.514 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 22.3 ttp85 -75.59 -32.11 60.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -73.61 -58.87 3.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -55.79 -41.12 73.64 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -63.22 -39.51 94.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.305 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -57.9 -40.39 80.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.656 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -63.16 -54.91 30.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.481 179.676 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -61.79 -32.56 72.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.752 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -38.54 83.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.293 179.495 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -77.51 -31.8 53.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.305 179.448 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 88.0 mt -75.01 -29.55 60.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.649 179.574 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -74.75 -42.42 58.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.754 179.802 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -71.04 -32.58 69.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.751 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.61 -31.91 63.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.967 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 13.6 mt -72.05 -37.68 69.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -66.67 -30.46 70.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 33.2 mt -66.95 -41.21 87.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -60.26 -31.53 70.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.2 -33.79 72.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.32 -33.91 75.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.989 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -107.01 97.57 7.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 2.0 m -67.82 104.95 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 40.6 tp -111.23 116.23 30.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -97.84 115.88 28.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -117.0 145.84 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.419 ' HD3' ' CE1' ' D' ' 327' ' ' TYR . 13.3 ttp85 -97.35 69.3 2.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -172.96 120.61 0.82 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.465 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -69.25 -32.3 71.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -77.65 -50.88 11.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.462 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -56.54 -47.53 79.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.757 179.826 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.449 ' CE2' ' CD1' ' D' ' 330' ' ' LEU . 8.1 t80 -62.46 -44.58 96.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.159 179.427 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -56.05 -32.34 63.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.458 179.498 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.2 ttp -67.2 -61.81 1.73 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.074 179.27 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.462 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 6.0 m-85 -59.64 -27.56 66.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.532 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -33.85 74.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.915 0.388 . . . . 0.0 110.135 179.373 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -78.68 -32.74 47.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.297 179.437 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 4.3 mp -73.77 -33.87 64.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.429 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -71.0 -42.69 69.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.534 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -66.88 -37.42 84.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.647 179.753 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.86 -35.28 80.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.58 -45.07 84.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.678 179.859 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -59.99 -31.63 70.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.8 mp -67.87 -45.45 74.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -60.39 -31.68 70.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.75 -31.56 66.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.67 -31.45 68.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.971 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.419 ' CE1' ' HD3' ' C' ' 333' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.847 0.356 . . . . 0.0 110.848 . . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -136.45 128.44 29.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.36 141.45 28.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.449 ' CD1' ' CE2' ' C' ' 338' ' ' PHE . 11.0 tp -140.57 107.41 5.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -91.61 101.21 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -98.61 120.27 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -82.94 76.25 9.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.89 133.97 1.86 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -74.37 -33.97 63.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.64 -45.21 22.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.969 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.45 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 2.2 tpp180 -58.23 -50.2 74.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.715 179.825 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -62.13 -44.32 96.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.106 179.423 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -56.87 -32.54 65.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.448 179.479 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.3 ttp -66.82 -60.23 2.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.237 179.399 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.45 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.4 m-85 -59.34 -28.57 66.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.777 179.524 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -66.47 -36.59 83.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.095 179.301 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.03 -32.72 57.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.311 179.429 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.55 -30.56 64.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.54 179.562 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -72.83 -45.65 57.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.729 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -69.6 -31.84 70.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.798 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.66 -32.41 62.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.036 179.87 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -72.19 -34.44 68.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.95 -31.69 68.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -71.18 -34.22 70.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -66.39 -35.82 81.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.85 -31.55 72.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.24 -40.22 62.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.99 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.836 0.351 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.414 ' CZ ' ' HD3' ' B' ' 335' ' ' ARG . 40.1 m-85 -152.8 100.78 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 6.8 m -72.0 137.97 47.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.419 HD12 ' CE2' ' B' ' 338' ' ' PHE . 43.5 tp -137.53 109.45 7.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -89.87 98.63 11.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.469 HD11 HG22 ' A' ' 332' ' ' ILE . 26.3 mm -81.71 128.38 38.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.71 30.93 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -138.94 123.95 2.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.59 -43.3 99.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.341 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -75.23 -51.83 12.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -56.09 -41.98 76.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.704 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.411 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 12.2 t80 -62.04 -47.79 83.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.375 179.613 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -54.61 -33.95 61.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.691 179.73 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.8 mtp -66.29 -58.04 6.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.336 179.537 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.42 ' HB3' ' CG ' ' B' ' 341' ' ' PHE . 3.1 m-85 -60.95 -30.62 70.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.807 179.713 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.48 -37.74 80.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.421 . . . . 0.0 110.22 179.468 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -78.77 -30.9 45.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.201 179.317 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.1 -31.55 61.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.546 179.525 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -73.59 -43.05 60.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.719 179.817 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -73.16 -31.62 64.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.687 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.26 -31.54 55.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.94 -31.42 61.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.754 179.848 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -70.43 -30.72 67.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.81 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -65.81 -36.98 85.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -59.7 -38.57 81.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.91 -38.48 85.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.17 -31.47 62.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.99 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.848 0.356 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.411 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 23.4 m-85 -142.67 103.23 4.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.3 m -63.06 148.97 46.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.1 tp -148.23 94.35 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -82.36 127.25 33.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 22.6 mt -134.88 152.48 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -105.19 36.42 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.77 125.12 4.02 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.414 ' HD3' ' CZ ' ' A' ' 328' ' ' PHE . 14.3 tpt180 -73.08 -39.35 65.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -74.17 -42.32 60.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.424 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 6.3 ttm180 -57.88 -49.53 76.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.711 179.882 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.419 ' CE2' HD12 ' A' ' 330' ' ' LEU . 10.2 t80 -59.65 -46.42 89.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.36 179.644 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -55.87 -33.03 64.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.59 179.699 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.4 ttp -67.0 -58.67 4.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.337 179.457 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.424 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.4 m-85 -61.06 -29.65 69.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.689 179.677 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -68.17 -37.23 80.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.214 179.355 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.4 -33.9 54.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.143 179.318 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.12 -29.73 65.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.359 179.416 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -72.34 -49.39 34.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.619 179.695 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.33 -28.9 69.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.826 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.86 -36.07 67.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.064 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.28 -37.34 77.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.821 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.29 -30.94 66.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 16.2 mt -72.48 -37.9 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -67.07 -31.5 72.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.85 -31.67 61.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.16 -32.48 64.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.958 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.826 0.346 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.403 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 6.6 m-85 -127.76 103.91 7.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.12 103.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 7.0 tp -100.04 117.14 33.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -91.05 114.22 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -109.37 141.29 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.094 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -106.06 73.12 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.18 130.2 1.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -30.57 63.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -74.14 -55.24 6.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -55.62 -40.14 71.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.712 179.867 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -63.31 -47.51 81.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.335 179.553 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -54.63 -33.83 61.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.666 179.708 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.6 mmm -66.4 -58.43 5.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.323 179.519 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.408 ' CD2' ' CD1' ' D' ' 341' ' ' PHE . 4.1 m-85 -59.96 -29.59 68.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.819 179.677 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -36.44 81.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.179 179.365 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -79.01 -32.01 44.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.273 179.345 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.0 -30.27 61.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.528 179.538 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -74.66 -42.78 57.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.697 179.801 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.93 -32.55 69.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.748 179.763 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.43 -32.97 64.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.884 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.88 -37.62 73.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.675 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.73 -31.24 72.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -67.01 -46.3 74.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.822 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -60.07 -36.01 76.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.87 -32.13 72.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.36 -31.12 62.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.06 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.984 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.793 0.33 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -84.61 99.5 10.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 14.7 m -73.99 135.61 43.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 19.4 tp -134.31 103.33 5.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -70.38 111.14 5.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 28.4 mm -96.52 130.04 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.53 30.83 3.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -147.33 119.32 1.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -32.18 70.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 0.0 110.934 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -75.43 -52.78 9.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttm105 -56.9 -38.86 73.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.649 179.824 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -63.29 -48.0 79.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.381 179.627 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.45 -33.44 59.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.656 179.682 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.0 ttm -66.84 -58.96 4.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.313 179.473 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.408 ' CD1' ' CD2' ' C' ' 341' ' ' PHE . 3.5 m-85 -61.1 -29.62 69.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.73 179.596 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 28.2 ttp85 -68.66 -35.57 77.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.968 0.413 . . . . 0.0 110.174 179.398 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -80.05 -31.28 39.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.191 179.306 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.13 -31.3 61.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.488 179.484 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -74.73 -43.47 54.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.613 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -71.05 -30.8 67.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.812 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.22 -34.53 59.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 179.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -72.25 -30.75 65.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 179.774 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -73.49 -44.05 58.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 pp -69.58 -31.47 69.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.918 0.389 . . . . 0.0 110.503 179.809 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -72.43 -42.3 65.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.436 179.613 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.03 -31.41 72.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.842 179.886 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.73 87.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.945 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.407 ' CZ ' ' HG2' ' B' ' 333' ' ' ARG . 52.2 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.864 0.364 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.402 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 8.2 m-85 -127.61 112.36 14.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.94 132.44 53.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 15.7 tp -135.52 116.55 14.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -103.76 119.11 38.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 27.5 mm -111.37 152.25 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -110.69 37.68 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -144.23 129.53 3.64 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 -64.55 -66.54 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -59.68 -37.62 79.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.831 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.453 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 1.5 tpt180 -59.5 -51.5 69.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.647 179.82 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -60.76 -46.85 88.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.111 179.499 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -55.66 -32.2 63.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.402 179.478 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.9 ttp -66.74 -60.9 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.1 179.35 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.453 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 4.0 m-85 -60.15 -29.17 68.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 179.575 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.13 -41.87 69.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.077 179.283 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -75.61 -30.64 59.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.18 179.198 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 3.6 tp -72.73 -30.88 64.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.465 179.552 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -72.43 -46.9 52.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.642 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.45 -24.77 61.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . 0.408 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . . . -83.55 -27.52 29.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 179.859 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.38 -27.7 34.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.004 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -81.09 -29.28 34.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.188 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.408 ' CD2' ' HA ' ' A' ' 347' ' ' ALA . 4.1 pp -80.9 -28.51 35.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.33 -29.2 47.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.821 0.344 . . . . 0.0 110.641 179.725 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.61 -31.02 67.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.663 179.774 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.34 -30.88 71.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.984 179.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.941 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.798 0.332 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -137.39 122.8 19.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.1 153.04 26.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 7.5 tp -155.12 112.12 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -87.07 84.46 7.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 29.2 mm -75.47 109.76 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.407 ' HG2' ' CZ ' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -65.28 -30.62 71.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.959 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -75.14 133.89 15.86 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.563 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -74.14 -57.15 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.1 -38.45 83.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.45 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 1.2 tpp180 -59.74 -51.74 68.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.755 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.402 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 8.0 t80 -59.55 -44.28 93.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.273 179.562 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.44 -34.99 64.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.533 179.529 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.93 -60.07 3.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.22 179.413 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.45 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 4.2 m-85 -60.67 -28.43 68.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.609 179.59 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -32.84 74.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.102 179.289 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -77.99 -32.7 51.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.317 179.381 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 3.2 mp -73.04 -37.45 66.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.437 179.58 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -69.06 -40.66 78.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.608 179.804 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -34.96 78.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.656 179.749 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.39 -40.37 93.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.84 179.791 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.12 -44.37 95.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.82 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -62.15 -31.43 71.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.41 -32.87 62.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -30.91 67.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -69.87 -31.89 69.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.07 -38.49 79.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.968 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.866 0.365 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.409 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 5.4 m-85 -126.12 113.41 17.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.55 104.39 11.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.406 ' HB2' ' CE1' ' D' ' 338' ' ' PHE . 23.1 tp -95.01 114.38 26.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -88.61 97.17 10.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.3 mp -96.14 126.3 48.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -98.75 33.82 2.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.67 115.62 1.3 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.0 ptt-85 -61.22 -35.98 78.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -74.32 -54.46 7.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.5 mtm105 -55.43 -42.34 74.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.668 179.928 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -61.0 -45.7 93.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.391 179.659 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -54.08 -36.66 63.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.64 179.712 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -65.39 -59.35 4.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.259 179.39 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.481 ' CD1' ' CD2' ' D' ' 341' ' ' PHE . 4.5 m-85 -58.96 -27.28 65.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.708 179.588 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -39.01 88.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.99 0.424 . . . . 0.0 110.138 179.373 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.69 -32.55 57.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.27 179.394 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.3 mt -73.39 -29.78 62.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.506 179.508 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -72.96 -45.12 59.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.707 179.806 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -71.32 -33.91 70.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.742 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.5 -29.65 56.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.998 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 9.9 mt -76.24 -29.44 57.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -77.38 -32.06 54.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.823 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.16 -37.97 52.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.808 179.867 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.04 -28.77 57.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.864 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -78.82 -30.55 45.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 179.88 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.32 -30.81 57.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.062 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 179.958 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.788 0.328 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -111.43 99.26 8.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 30.4 m -68.41 128.89 38.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 53.0 tp -127.39 110.76 13.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -85.58 123.79 31.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -125.15 137.39 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -97.86 36.41 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.28 120.32 2.18 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -59.95 4.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 110.937 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -59.86 -33.86 72.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.437 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 6.5 ttp180 -60.93 -54.0 50.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.647 179.76 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.406 ' CE1' ' HB2' ' C' ' 330' ' ' LEU . 8.6 t80 -61.02 -45.56 94.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.062 179.399 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -56.78 -31.55 64.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.351 179.421 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.3 ttp -67.1 -60.71 2.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.213 179.342 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.481 ' CD2' ' CD1' ' C' ' 341' ' ' PHE . 3.6 m-85 -60.97 -28.57 69.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.776 179.606 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -70.66 -37.71 73.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.939 0.399 . . . . 0.0 110.25 179.45 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -79.01 -31.28 44.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.289 179.292 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.1 mt -76.04 -29.35 58.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.578 179.564 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -75.67 -42.12 52.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.639 179.772 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -71.76 -32.58 67.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.699 179.828 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.47 -34.11 63.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.14 -34.18 70.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.691 179.825 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -66.01 -30.24 70.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.6 mp -62.74 -40.55 97.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -59.26 -39.97 84.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.52 -32.95 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.04 -31.21 61.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.067 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.995 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.403 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 12.9 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -106.36 100.66 10.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.12 150.99 47.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 14.1 tp -152.79 106.57 3.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -84.55 119.63 25.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 28.0 mm -115.8 121.69 67.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.419 ' HG2' ' CE2' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -64.98 -30.87 71.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 179.937 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -70.84 131.51 21.14 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.526 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.415 ' HG3' ' CZ ' ' B' ' 328' ' ' PHE . 11.4 ttp180 -75.35 -57.63 3.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -61.67 -39.31 90.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.44 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -59.76 -51.91 67.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.754 179.894 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.423 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 7.7 t80 -59.99 -43.86 94.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.288 179.559 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.51 -34.06 66.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.416 179.557 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.8 tpp -66.63 -60.77 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.104 179.342 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.44 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 3.8 m-85 -61.03 -28.54 69.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.792 179.546 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -70.29 -38.09 74.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.958 0.409 . . . . 0.0 110.032 179.361 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.02 -30.36 61.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.099 179.153 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.97 -42.49 66.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.476 179.537 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -65.0 -38.75 91.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.737 179.856 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -70.45 -30.89 67.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.48 -31.8 67.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.31 -44.38 62.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -68.02 -28.24 67.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.49 -37.55 65.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -69.59 -32.35 71.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.54 -34.22 72.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.35 -31.01 70.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.068 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.997 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.419 ' CE2' ' HG2' ' A' ' 333' ' ' ARG . 13.0 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.423 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 19.5 m-85 -135.86 107.83 7.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 4.2 m -69.82 125.63 27.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.416 HD11 ' CE2' ' A' ' 338' ' ' PHE . 19.2 tp -111.64 110.28 20.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -90.29 88.05 7.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mt -85.41 149.52 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.403 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 6.0 ttt180 -117.13 42.99 2.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -155.36 137.16 5.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.74 -41.14 68.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -74.74 -40.33 61.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.782 179.878 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.441 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 2.0 tpp180 -59.26 -51.39 70.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.623 179.803 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -61.09 -45.64 93.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.169 179.464 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.33 -32.4 64.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.483 179.542 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttm -66.57 -59.84 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.193 179.351 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.441 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 5.5 m-85 -59.48 -30.86 68.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.726 179.614 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -65.97 -39.61 90.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.984 0.421 . . . . 0.0 109.938 179.288 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -74.71 -29.83 61.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.905 178.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.9 -44.07 64.34 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.457 179.459 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -65.36 -38.68 90.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.802 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -73.24 -37.35 66.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.761 179.822 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.58 -30.25 61.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.969 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 21.0 mt -75.6 -30.75 59.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.824 179.876 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -71.81 -29.17 64.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.14 -38.74 78.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -62.7 -39.01 92.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.24 -38.24 88.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.61 -31.9 72.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.05 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.989 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.412 ' CZ ' ' HG3' ' D' ' 333' ' ' ARG . 26.3 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.786 0.327 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -97.98 98.94 10.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 13.7 m -74.25 120.32 19.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.418 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 22.3 tp -107.47 123.97 49.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -98.71 85.81 3.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -83.26 126.64 40.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -98.76 30.94 3.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -126.74 136.68 9.56 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.443 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -74.44 -51.11 15.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -73.96 -47.68 35.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.991 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -56.7 -44.1 81.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.76 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.408 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 12.5 t80 -61.15 -48.09 83.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.38 179.634 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -54.95 -32.96 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.696 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 3.7 ttp -67.01 -57.3 7.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.399 179.576 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.405 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 2.2 m-85 -61.63 -30.74 70.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.709 179.649 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -67.81 -36.84 81.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.231 179.442 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -77.06 -31.76 56.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.271 179.349 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.2 -35.48 63.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.656 179.592 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -71.07 -38.63 72.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.758 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.79 -33.38 72.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.63 -37.39 76.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.046 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.82 -39.84 83.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -64.93 -31.33 72.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.5 mt -71.92 -40.81 68.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -66.66 -31.52 72.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -67.36 -33.44 75.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.12 -31.7 68.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.995 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.834 0.349 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.408 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 26.1 m-85 -139.9 109.97 6.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 2.4 m -86.53 142.54 28.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.9 tp -141.98 105.95 4.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -87.3 110.4 20.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -115.0 144.86 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.06 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.412 ' HG3' ' CZ ' ' C' ' 327' ' ' TYR . 4.7 ttp180 -98.46 35.69 1.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -130.02 122.52 3.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.449 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -45.98 69.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -71.71 -40.63 69.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.454 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 1.9 tpp180 -59.35 -51.59 69.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.626 179.849 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.418 ' CD2' ' HB2' ' C' ' 330' ' ' LEU . 8.3 t80 -61.0 -44.71 97.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.161 179.501 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -56.84 -32.43 65.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.461 179.57 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.5 ttm -67.03 -59.85 3.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.225 179.398 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.454 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.1 m-85 -59.92 -29.27 68.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.74 179.595 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -67.05 -39.56 86.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.013 179.266 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -76.2 -32.75 59.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.171 179.247 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -30.39 65.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.394 179.413 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -71.43 -48.28 50.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.709 179.737 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -67.9 -31.72 71.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.5 -33.37 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.048 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -72.97 -29.91 63.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 179.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -70.81 -31.17 67.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.95 -36.45 77.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -63.12 -32.57 73.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.84 -33.6 68.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.7 -32.2 60.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.999 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.847 0.356 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -124.98 110.79 14.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 1.2 p -75.23 119.93 20.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 8.0 tp -106.36 113.47 27.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -99.72 101.56 12.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.62 145.09 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.411 ' HG3' ' CE1' ' B' ' 327' ' ' TYR . 59.8 ttt-85 -98.13 35.04 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -147.12 122.02 1.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -65.02 -31.9 73.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -75.05 -50.61 15.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -56.75 -43.4 80.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 179.842 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -61.1 -46.81 89.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.425 179.673 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -54.71 -34.38 62.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.683 179.671 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.2 ttp -66.59 -58.79 4.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.261 179.465 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -60.08 -28.52 67.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.777 179.625 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -67.61 -36.62 81.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.936 0.398 . . . . 0.0 110.196 179.414 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -78.63 -32.74 47.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.351 179.433 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 81.0 mt -76.15 -29.2 57.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.591 179.589 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -75.6 -40.06 57.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.743 179.812 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -72.9 -34.08 66.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.781 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.61 -31.65 59.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -74.48 -31.61 62.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.752 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -70.2 -31.67 69.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.869 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.56 -33.15 68.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.798 179.906 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -67.1 -37.56 84.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.813 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.78 -41.44 99.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.17 -34.67 75.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.985 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' A' ' 333' ' ' ARG . 7.5 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.789 0.328 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -129.39 130.69 46.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.6 m -91.65 137.39 32.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.8 tp -133.04 98.63 4.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -81.21 110.85 17.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 22.2 mt -118.45 142.77 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -97.57 37.85 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.36 108.46 0.55 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.453 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -60.78 -31.23 70.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.47 -52.51 18.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -56.11 -41.76 75.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.71 179.817 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -61.96 -47.29 85.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.39 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -54.86 -33.91 62.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.654 179.745 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.3 tpp -66.46 -58.38 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.294 179.507 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -60.15 -30.04 69.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.782 179.633 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.15 -35.87 80.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.162 179.471 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.0 -31.99 39.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.241 179.37 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 17.9 mt -75.9 -30.68 58.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.433 179.531 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -75.47 -42.6 52.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.637 179.727 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -72.52 -31.41 65.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.71 179.779 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.45 -33.01 58.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.996 179.825 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.66 -31.57 63.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.736 179.837 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -69.79 -31.76 69.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 179.862 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 10.7 mt -67.56 -43.52 80.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -60.23 -31.78 70.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.19 -31.5 70.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.93 -40.16 60.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.412 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 9.4 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -130.44 97.7 4.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 4.1 m -64.78 113.7 3.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.42 HD12 ' CE1' ' D' ' 338' ' ' PHE . 14.2 tp -122.65 111.58 16.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -91.24 83.81 5.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -78.27 128.11 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.446 ' CD ' ' CE1' ' D' ' 327' ' ' TYR . 10.7 ttp180 -94.16 71.88 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -174.28 112.13 0.4 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.448 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.5 -31.46 70.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -76.96 -57.86 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -55.25 -40.65 71.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.721 179.801 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -63.12 -45.68 90.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.368 179.563 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -55.01 -35.05 63.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.634 179.706 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -66.09 -58.98 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.251 179.462 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.443 ' CD2' ' CD1' ' D' ' 341' ' ' PHE . 3.6 m-85 -61.27 -29.63 69.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.746 179.625 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -69.0 -36.56 77.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.199 179.356 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.69 -31.67 41.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.176 179.277 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.84 -30.2 58.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.538 179.513 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -75.15 -42.0 57.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.717 179.793 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.29 -31.85 66.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.748 179.863 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.46 -32.75 60.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.944 179.869 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.82 -34.13 66.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.746 179.838 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -68.15 -31.03 70.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.6 mt -66.11 -42.11 89.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -60.93 -31.81 71.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.54 -33.64 69.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.91 -34.83 66.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.986 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.446 ' CE1' ' CD ' ' C' ' 333' ' ' ARG . 8.1 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.823 0.344 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -103.34 115.85 31.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.79 129.72 40.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 40.0 tp -133.13 108.5 8.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.15 114.58 26.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -111.35 134.73 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.412 ' HG3' ' CE2' ' C' ' 327' ' ' TYR . 2.2 ttm105 -93.59 61.97 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -170.79 128.94 1.7 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.39 -30.2 61.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.75 0.31 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -77.27 -50.37 13.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.418 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -56.19 -45.99 79.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.67 179.849 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.42 ' CE1' HD12 ' C' ' 330' ' ' LEU . 10.2 t80 -61.47 -46.69 88.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.242 179.538 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.11 -33.49 62.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.599 179.729 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.7 ttm -66.46 -58.95 4.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.252 179.51 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.443 ' CD1' ' CD2' ' C' ' 341' ' ' PHE . 4.5 m-85 -60.39 -29.75 69.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.709 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.7 -36.29 78.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.949 0.405 . . . . 0.0 110.132 179.451 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -79.42 -31.96 42.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.122 179.314 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.88 -32.35 63.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.34 179.438 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -72.08 -45.22 61.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.637 179.757 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.27 -30.76 63.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.62 179.708 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.21 -28.14 53.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.894 179.722 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 2.0 mt -75.79 -36.94 59.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.789 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.51 -26.46 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.74 -42.48 61.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.046 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.63 -27.55 66.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.023 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -72.82 -33.29 66.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.41 -31.05 48.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.083 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.997 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.85 0.357 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -123.63 150.74 43.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.32 110.88 23.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.437 ' CD1' ' CE1' ' B' ' 338' ' ' PHE . 29.7 tp -103.39 109.9 21.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -98.94 116.4 31.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -116.51 151.76 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -98.88 32.32 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.48 124.81 4.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 70.2 ttt-85 -74.65 -50.45 17.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.767 0.318 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -66.52 -41.41 88.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 mmt-85 -58.32 -50.11 74.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.795 179.906 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 342' ' ' ARG . 7.1 t80 -56.24 -43.01 78.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.704 179.906 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -56.17 -39.17 71.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.354 . . . . 0.0 110.48 179.745 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.1 tmm? -66.61 -60.28 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.945 179.163 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -60.71 -22.45 63.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.158 179.605 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 338' ' ' PHE . 2.9 tmm_? -73.29 -34.86 65.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.077 0.465 . . . . 0.0 109.972 179.182 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -76.36 -30.5 57.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.135 179.193 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.83 -38.79 76.65 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.519 179.629 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -68.48 -45.6 71.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.769 179.865 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -70.84 -32.91 70.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.772 179.822 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.74 -33.52 58.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.801 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.76 -28.45 61.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.65 179.833 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -70.03 -30.39 67.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.707 179.71 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.04 -42.72 96.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.801 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -59.94 -44.11 94.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -33.22 74.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.87 -31.15 68.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.99 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.837 0.351 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -139.89 107.36 5.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 2.4 m -72.22 148.25 45.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 18.2 tp -147.03 106.19 3.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.7 83.79 7.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 5.1 mt -81.74 137.75 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -100.44 74.88 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.32 118.0 0.51 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.531 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -61.68 -40.56 95.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -74.61 -41.13 60.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.429 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 1.1 tpp85 -59.43 -51.68 68.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.708 179.903 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.437 ' CE1' ' CD1' ' A' ' 330' ' ' LEU . 6.9 t80 -59.25 -43.02 92.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.353 179.578 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -56.07 -34.21 65.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.49 179.563 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 39.0 ttm -66.84 -61.34 2.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.046 179.328 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.429 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 5.3 m-85 -60.9 -27.88 68.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.679 179.458 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -68.67 -31.85 71.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.029 179.236 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -78.86 -31.35 45.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.307 179.369 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 1.2 mt -72.54 -34.62 67.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.644 179.674 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -72.42 -43.79 63.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.65 179.781 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.58 -31.37 70.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.764 179.766 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.1 -35.8 71.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.991 179.847 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 9.5 mt -68.89 -38.56 79.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.698 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -63.81 -30.0 71.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.79 -32.45 65.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -31.86 72.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.86 -36.63 84.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.39 -31.29 71.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.059 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.982 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.801 0.334 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -93.03 88.48 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.69 125.9 27.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 23.8 tp -128.08 111.85 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -83.05 104.23 13.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -105.78 149.33 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -110.41 78.05 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.65 105.42 0.19 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -30.0 67.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 111.006 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.7 -63.95 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -54.88 -40.32 69.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -65.18 -38.82 91.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.27 179.648 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -58.66 -38.57 78.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.641 179.788 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttm -64.46 -55.76 18.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.47 179.603 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.407 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 3.0 m-85 -61.59 -31.48 71.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.728 179.796 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -67.28 -34.99 78.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.225 179.532 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -80.31 -31.06 38.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.271 179.375 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.4 mt -77.01 -32.17 56.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.541 179.623 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -75.66 -38.9 58.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.719 179.849 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -73.88 -32.02 63.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.66 179.822 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.75 -32.44 63.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.843 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -72.37 -39.75 67.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.745 179.903 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -66.91 -29.14 68.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.5 mt -70.05 -43.31 71.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -68.16 -29.79 68.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -71.17 -31.59 67.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.8 -31.25 70.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.054 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.982 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.872 0.368 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -134.18 114.1 12.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 1.3 m -73.07 131.96 42.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 16.4 tp -121.2 106.09 11.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -83.8 99.62 10.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -98.5 117.12 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 15.0 ttt-85 -98.25 36.01 1.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -144.03 125.85 2.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.45 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -65.22 -38.41 90.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.35 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -73.31 -51.89 15.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.6 ttm105 -56.1 -40.04 73.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.749 179.853 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -61.85 -48.47 80.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.439 179.668 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.97 -34.18 59.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.709 179.715 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 4.4 mtp -66.5 -58.64 4.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.362 179.443 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.407 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 3.0 m-85 -60.44 -29.19 68.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.698 179.573 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -67.8 -38.42 83.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.181 179.445 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -76.75 -32.59 57.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.304 179.38 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.89 -29.98 62.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.496 179.595 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -73.46 -43.44 60.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.695 179.846 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -71.35 -31.2 67.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.726 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.05 -34.49 59.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.02 179.861 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -72.65 -30.75 64.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.8 179.861 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.5 -29.8 66.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.805 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.15 -38.42 88.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -33.62 73.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -69.02 -39.1 79.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.27 -32.93 72.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.915 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.762 0.315 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.411 ' CZ ' ' HG3' ' B' ' 335' ' ' ARG . 48.4 m-85 -142.68 102.87 4.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 3.9 m -77.85 107.63 10.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.433 ' CD1' ' CE1' ' B' ' 338' ' ' PHE . 13.1 tp -100.32 108.37 20.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -95.71 121.37 37.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -118.62 152.73 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.406 ' HB2' ' CE1' ' B' ' 327' ' ' TYR . 0.8 OUTLIER -104.76 36.87 2.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.84 133.12 5.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -70.44 -61.9 1.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.31 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.79 -34.24 72.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 1.0 OUTLIER -60.32 -52.68 64.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.712 179.886 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -58.78 -46.02 88.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.344 179.604 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -55.82 -32.73 63.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.448 179.534 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.0 ttm -66.77 -60.65 2.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.167 179.338 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.437 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 5.1 m-85 -60.34 -28.83 68.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.619 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -34.03 74.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.947 0.403 . . . . 0.0 110.133 179.33 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.87 -31.99 51.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.293 179.342 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 1.4 mp -72.72 -36.38 67.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.512 179.598 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -69.85 -42.18 73.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.647 179.807 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -72.93 -38.32 66.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.624 179.716 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.27 -27.62 59.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.815 179.718 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 40.0 tp -76.52 -31.03 57.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.796 179.855 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -74.38 -31.61 62.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 mt -70.04 -32.52 70.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.901 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -64.92 -32.41 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.32 -31.41 72.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.12 -43.98 60.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.406 ' CE1' ' HB2' ' A' ' 333' ' ' ARG . 12.6 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.827 0.346 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.421 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 5.0 m-85 -130.28 131.83 45.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.5 145.62 28.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -137.6 88.03 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -66.1 83.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.7 mt -93.08 152.55 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.05 39.41 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.36 113.44 1.06 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.464 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.411 ' HG3' ' CZ ' ' A' ' 328' ' ' PHE . 1.7 ttt-85 -68.47 -37.09 79.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.721 0.296 . . . . 0.0 111.007 -179.92 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -68.95 -58.71 3.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.949 -179.9 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -55.04 -45.99 75.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 0.0 110.772 179.859 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.433 ' CE1' ' CD1' ' A' ' 330' ' ' LEU . 3.9 t80 -60.5 -39.65 88.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.423 179.56 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.74 -39.9 78.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.695 179.762 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.8 ttm -63.48 -55.55 23.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.429 179.562 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.429 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 3.1 m-85 -61.0 -33.47 73.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.777 179.707 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -66.04 -33.44 75.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.276 179.513 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -80.14 -32.02 38.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.327 179.412 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 68.4 mt -76.46 -32.21 58.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.558 179.623 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -74.45 -39.24 62.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.505 179.699 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -74.5 -38.63 62.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.544 179.691 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.74 -27.59 60.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.793 179.575 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 8.2 tp -75.36 -33.71 61.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.661 179.815 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.83 -29.06 65.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.808 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.65 -44.61 61.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -66.77 -30.37 70.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.799 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -69.33 -31.32 69.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.6 -31.22 68.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.053 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.971 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -98.04 91.47 5.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.58 122.24 20.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.409 HD12 ' CE2' ' D' ' 338' ' ' PHE . 20.2 tp -108.98 116.05 31.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -98.6 85.5 3.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -85.3 142.6 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -98.63 33.51 2.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.34 121.21 3.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.445 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -60.26 -46.46 89.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.94 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.79 -47.7 44.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.401 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 3.1 ttm180 -56.78 -44.08 81.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.785 179.91 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.414 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 11.8 t80 -60.57 -47.41 86.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.49 179.645 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.62 -33.99 61.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.604 179.77 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -66.56 -58.63 4.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.329 179.502 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.477 ' CD2' ' CD1' ' D' ' 341' ' ' PHE . 2.5 m-85 -64.06 -29.35 70.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.797 179.693 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.403 ' HG3' ' CE1' ' C' ' 338' ' ' PHE . 2.3 tmt_? -73.6 -34.14 64.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.2 179.422 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -81.57 -31.93 32.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.266 179.334 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 11.2 mt -77.94 -29.44 49.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.565 179.52 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -77.61 -38.83 47.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.601 179.751 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -72.99 -31.12 64.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.755 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.62 -35.47 60.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.002 179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 12.1 mt -72.36 -32.0 66.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.742 179.888 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.4 -31.61 70.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.754 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -71.43 -42.98 67.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.76 -31.24 72.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -67.61 -31.58 71.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.04 -31.22 69.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.966 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.848 0.356 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.414 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 7.4 m-85 -131.91 139.13 48.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.44 144.99 31.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 17.0 tp -149.33 102.19 3.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -66.05 84.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -82.36 115.01 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -84.45 106.88 16.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 141.34 122.38 1.83 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -68.48 -30.67 69.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.05 -47.17 53.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -57.41 -43.16 83.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.712 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.409 ' CE2' HD12 ' C' ' 330' ' ' LEU . 12.3 t80 -60.59 -47.7 85.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.44 179.705 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -54.2 -34.1 59.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.603 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.7 ttm -66.39 -59.26 3.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.266 179.468 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.477 ' CD1' ' CD2' ' C' ' 341' ' ' PHE . 4.3 m-85 -60.45 -29.42 69.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.774 179.62 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.49 -34.95 76.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.987 0.422 . . . . 0.0 110.196 179.446 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.3 -31.04 38.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.219 179.299 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.6 mp -76.09 -32.54 59.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.473 179.572 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -75.53 -41.51 54.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.612 179.805 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -73.61 -29.89 62.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.719 179.774 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.97 -31.75 56.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.996 179.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.74 -31.23 56.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.778 179.901 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -73.77 -29.86 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.777 179.794 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 7.3 mt -72.92 -42.0 63.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -67.16 -30.53 70.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.65 -31.32 70.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.68 -38.53 70.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.964 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.811 0.339 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -105.16 127.89 53.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 2.7 m -93.53 152.89 18.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.2 tp -152.07 101.7 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -81.24 86.75 6.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mt -82.32 149.68 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -107.41 86.03 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 162.84 118.5 0.46 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -31.29 72.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.311 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -75.33 -47.97 25.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -57.09 -45.13 83.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.639 179.876 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.409 ' CE1' ' HD2' ' A' ' 342' ' ' ARG . 11.9 t80 -60.84 -47.21 87.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.389 179.604 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.8 -34.15 62.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.689 179.666 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.6 tpp -66.29 -58.01 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.317 179.541 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.427 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 3.4 m-85 -60.09 -30.44 69.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.759 179.66 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.409 ' HD2' ' CE1' ' A' ' 338' ' ' PHE . 10.6 ttt85 -66.66 -36.36 82.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.217 179.464 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -79.34 -31.68 43.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.287 179.388 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 2.3 mp -76.56 -31.89 57.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.48 179.576 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -73.91 -39.71 63.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.655 179.701 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -72.39 -37.13 68.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.663 179.836 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.17 -30.92 63.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.855 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.38 -33.54 65.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.76 179.886 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -68.45 -31.01 70.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -39.73 91.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -59.31 -32.11 69.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.975 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.22 -31.12 54.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -79.7 -31.4 41.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.865 0.364 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -155.69 115.55 3.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.92 138.66 46.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.2 tp -131.81 106.69 8.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -103.19 121.09 41.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mt -125.24 150.64 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.097 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -99.43 33.71 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.99 128.23 3.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.37 -32.2 66.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.26 -48.01 38.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -57.37 -44.07 84.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.704 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -60.24 -46.58 89.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.434 179.682 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -54.14 -35.49 62.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.695 179.701 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.29 -58.89 4.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.269 179.506 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.427 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 3.3 m-85 -60.88 -28.06 68.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.723 179.597 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -68.44 -33.75 74.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.269 179.432 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.47 -33.04 36.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.324 179.49 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 3.6 mp -77.83 -30.58 51.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.523 179.605 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -76.69 -36.24 57.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.772 179.796 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -76.32 -30.37 57.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.85 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.12 -30.1 49.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.991 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.53 -34.76 53.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 179.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -74.65 -29.68 61.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 5.8 mt -73.64 -32.03 63.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -69.89 -31.58 69.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -70.33 -30.99 68.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.39 -40.19 85.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.947 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.808 0.337 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.437 ' N ' ' CD1' ' C' ' 328' ' ' PHE . 3.5 m-85 -127.16 101.5 6.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.68 143.75 44.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.4 tp -151.76 110.26 3.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -95.75 128.14 42.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -127.07 151.8 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.75 35.57 2.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.01 124.84 4.09 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.444 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -75.85 -35.18 60.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.791 0.329 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -77.1 -42.23 38.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.445 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -59.67 -52.64 64.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.572 179.851 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.412 ' CE1' HD11 ' D' ' 330' ' ' LEU . 6.1 t80 -59.91 -42.29 93.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.117 179.512 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -55.91 -35.02 66.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.471 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.8 ttm -66.47 -61.02 2.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.074 179.35 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.486 ' CD1' ' CD2' ' D' ' 341' ' ' PHE . 6.6 m-85 -58.79 -26.35 63.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.825 179.498 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -37.09 81.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.891 0.377 . . . . 0.0 110.149 179.375 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.54 -32.48 53.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.403 179.422 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 82.1 mt -75.59 -30.78 59.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.602 179.641 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -73.57 -40.06 64.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.662 179.764 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -69.51 -36.3 76.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.758 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.71 -35.78 72.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.012 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -68.52 -34.7 76.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.756 179.884 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.87 -31.89 73.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.46 -36.72 68.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -67.44 -31.55 71.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -66.0 -32.05 73.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.22 -31.91 70.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.99 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.88 0.371 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -144.25 109.53 5.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 1.8 m -75.94 138.6 41.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.412 HD11 ' CE1' ' C' ' 338' ' ' PHE . 23.8 tp -132.57 117.21 17.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 -99.42 84.02 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -81.43 122.27 36.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.13 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 36.4 ptt85 -97.78 37.64 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.79 133.65 6.64 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -64.24 -66.15 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.775 0.322 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -59.68 -38.46 81.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.455 ' HG2' ' CE1' ' D' ' 341' ' ' PHE . 14.9 ttp-105 -59.26 -51.68 68.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.565 179.769 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -62.69 -47.64 82.76 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.23 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -55.77 -30.92 62.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.393 179.383 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 4.3 ttm -66.81 -59.67 3.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.306 179.45 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.486 ' CD2' ' CD1' ' C' ' 341' ' ' PHE . 2.5 m-85 -60.62 -30.02 69.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.709 179.585 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -39.68 80.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.342 179.499 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.35 -30.44 48.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.274 179.414 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.74 -31.35 52.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.509 179.65 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -77.73 -40.25 41.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.574 179.728 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -76.35 -30.36 57.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.614 179.667 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.37 -31.23 42.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.763 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 7.7 mt -76.8 -31.12 56.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.601 179.791 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -71.47 -30.35 65.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.816 179.771 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.61 -37.1 84.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 179.886 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -60.29 -35.29 75.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -68.1 -31.67 71.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.53 -41.59 65.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.858 0.361 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -156.94 149.0 22.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -141.27 96.2 2.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 3.2 m -70.97 117.18 12.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 47.6 tp -112.4 102.23 10.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -73.19 113.72 10.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 23.5 mm -104.46 140.18 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.414 ' HG2' ' CE2' ' B' ' 327' ' ' TYR . 83.1 mtt180 -113.96 38.48 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -151.2 135.75 5.24 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.409 ' HD2' ' CZ ' ' B' ' 328' ' ' PHE . 4.6 tpt180 -75.82 -37.22 59.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -76.26 -52.0 10.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.42 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 6.7 ttm180 -56.15 -43.75 78.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.778 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -61.87 -46.43 89.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.38 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -55.2 -33.8 63.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.653 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.5 ttm -66.41 -58.62 4.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.326 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.42 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.7 m-85 -59.93 -29.48 68.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.782 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -35.09 79.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.172 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -79.7 -32.78 41.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.254 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.25 -31.01 60.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.433 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -73.7 -42.23 61.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.68 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -71.25 -33.5 69.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.691 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.72 -31.22 64.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -71.86 -39.47 69.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -65.53 -31.43 72.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.9 -32.24 69.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.785 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -65.96 -31.5 72.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -62.72 -31.64 72.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.24 -31.25 67.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -89.18 -41.56 12.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -111.63 137.08 49.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.451 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.82 0.343 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.414 ' CE2' ' HG2' ' A' ' 333' ' ' ARG . 5.9 m-85 -133.31 147.71 51.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.409 ' CZ ' ' HD2' ' A' ' 335' ' ' ARG . 18.4 m-85 -142.94 93.48 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.41 117.68 7.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.4 tp -113.59 113.73 25.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -97.19 128.02 43.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -135.71 145.74 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 -98.29 35.53 1.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.27 106.31 0.67 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -62.05 -31.97 72.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.34 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -74.4 -50.96 16.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.42 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 4.9 ttm180 -56.7 -41.53 77.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.748 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -61.9 -47.3 85.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.428 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -54.35 -35.06 62.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.645 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.5 ttm -65.36 -58.47 5.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.272 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.42 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 5.4 m-85 -58.47 -30.75 67.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.714 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -63.93 -37.92 89.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.163 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -76.84 -33.59 57.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.225 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.61 -32.64 66.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.327 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -69.48 -45.05 69.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.667 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -70.94 -29.4 65.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.834 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.0 -29.22 55.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -75.77 -36.12 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -70.92 -29.45 65.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.781 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.02 -44.18 55.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.779 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -69.79 -30.32 67.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -73.85 -31.31 63.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.1 -34.6 73.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.067 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -77.19 -33.01 56.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -92.81 -169.82 2.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.541 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.813 0.339 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.405 ' O ' ' CD1' ' C' ' 328' ' ' PHE . 94.1 m-85 61.82 150.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' C' ' 327' ' ' TYR . 13.0 m-85 -138.38 107.98 6.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 6.0 m -76.65 129.87 36.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 15.4 tp -129.28 105.92 8.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -84.89 124.87 32.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -116.52 117.87 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.414 ' HB3' ' CZ ' ' D' ' 327' ' ' TYR . 0.2 OUTLIER -68.99 -30.39 68.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -80.11 128.97 8.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.459 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 9.4 ttp85 -71.93 -36.62 69.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.766 0.317 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.15 -47.75 60.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -57.29 -42.1 81.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.772 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.42 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 12.8 t80 -60.89 -47.8 84.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.488 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -54.42 -34.85 62.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.782 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.8 ttm -66.05 -56.89 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.388 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -61.16 -31.21 70.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.632 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.77 -33.03 74.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.203 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -75.95 -35.36 59.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.381 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 2.4 mp -72.66 -38.86 67.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.45 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -66.84 -36.24 81.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.497 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.72 -47.4 63.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.628 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.61 -28.87 69.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.654 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 7.1 tp -68.9 -39.91 79.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.755 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.98 -33.56 75.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.3 mp -66.55 -38.86 88.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.805 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -60.22 -36.05 76.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -62.31 -37.98 87.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.46 -31.0 70.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -113.08 29.38 8.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -161.98 80.13 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.494 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.814 0.34 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.414 ' CZ ' ' HB3' ' C' ' 333' ' ' ARG . 10.2 m-85 -82.12 152.96 26.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.42 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 30.2 m-85 -140.44 119.39 12.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.37 121.85 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 16.4 tp -124.44 107.42 11.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -80.68 125.04 29.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.7 mt -127.34 137.18 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.049 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 28.4 ttp85 -98.1 36.21 1.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.67 115.49 1.71 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.504 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -40.03 94.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.75 0.309 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.98 -47.7 24.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.459 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 2.0 tpt180 -57.35 -48.63 78.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.714 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -62.56 -45.21 93.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.081 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -56.18 -32.65 64.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.45 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.2 ttm -66.25 -60.25 2.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.184 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.459 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 6.6 m-85 -59.0 -29.88 67.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.804 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -37.53 85.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.094 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.15 -31.18 49.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.237 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.41 -30.45 61.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.519 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -74.32 -44.07 54.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.684 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -71.67 -30.89 66.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.793 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.88 -31.46 56.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.057 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.02 -31.9 61.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.764 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -71.83 -33.12 68.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 19.1 mt -69.78 -37.25 76.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -64.55 -31.31 72.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.53 -33.0 74.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.96 -31.16 71.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -93.4 -41.89 9.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.03 -170.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.492 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.791 0.329 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -129.47 153.12 48.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -134.07 84.01 2.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.24 101.42 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.402 HD13 ' CE2' ' B' ' 338' ' ' PHE . 5.1 tt -101.73 124.34 47.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -105.91 136.17 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -130.31 151.42 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -100.4 31.75 3.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -139.71 129.38 4.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.86 -34.59 69.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.758 0.314 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -75.22 -39.21 60.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.441 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 1.8 tpp180 -59.86 -52.21 66.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.683 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.401 ' CD1' HD11 ' B' ' 330' ' ' LEU . 7.6 t80 -59.78 -43.84 94.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.221 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -55.92 -34.79 65.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.553 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 4.7 ttp -65.64 -59.73 3.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.25 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.449 ' CD2' ' CD1' ' B' ' 341' ' ' PHE . 6.1 m-85 -59.06 -28.86 66.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.773 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -36.16 82.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.138 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -78.64 -31.53 46.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.396 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 86.0 mt -77.36 -30.32 53.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.622 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -75.69 -37.94 59.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.713 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.27 -36.04 66.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.689 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.54 -31.85 67.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.797 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.54 -41.62 72.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.571 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -72.62 -25.07 61.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.538 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 8.9 tp -74.07 -36.84 64.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.868 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -72.34 -29.29 63.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -72.15 -31.3 65.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.917 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.19 -31.67 72.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.06 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -94.99 -31.51 13.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . 60.67 111.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.35 -1.25 . . . . 0.0 112.488 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.794 0.33 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -97.28 152.63 18.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -148.14 142.23 26.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.43 146.75 27.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.401 HD11 ' CD1' ' A' ' 338' ' ' PHE . 6.9 tt -143.02 94.84 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -61.02 121.67 13.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mt -121.79 112.3 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 11.8 ttt85 -96.8 39.19 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -142.06 129.97 4.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.448 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.94 -66.26 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.792 0.33 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.66 -38.01 80.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.827 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.449 ' HG2' ' CE2' ' B' ' 341' ' ' PHE . 29.2 ttm180 -60.4 -53.52 56.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.529 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.402 ' CE2' HD13 ' A' ' 330' ' ' LEU . 7.8 t80 -61.85 -44.26 97.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.987 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -57.63 -31.56 66.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.432 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.4 ttp -67.59 -59.34 3.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.327 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.449 ' CD1' ' CD2' ' A' ' 341' ' ' PHE . 1.8 m-85 -63.3 -28.24 69.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.702 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -37.58 65.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.386 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -79.17 -32.15 44.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.277 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.45 -30.55 53.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.52 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -76.11 -37.68 57.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.709 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -31.02 63.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.705 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.36 -35.37 63.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.062 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -72.34 -35.14 68.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.747 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -69.44 -31.49 69.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.811 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mt -66.55 -35.72 80.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -36.42 77.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.47 -35.38 80.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.05 -39.61 72.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -69.72 -31.57 69.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -137.62 115.98 11.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.483 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . 0.411 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 2.3 mm-40 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.806 0.336 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.434 ' CE1' ' CG ' ' D' ' 333' ' ' ARG . 5.9 m-85 -103.24 141.75 35.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' C' ' 326' ' ' GLU . 63.6 m-85 -138.58 115.52 10.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 7.8 m -71.08 124.67 24.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 54.3 tp -131.21 119.4 21.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -104.97 123.86 48.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -120.78 131.65 72.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -88.12 76.15 8.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.42 119.98 0.6 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.442 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.7 ttt85 -67.35 -31.04 71.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -74.54 -51.61 14.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -56.46 -41.86 77.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.717 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -61.95 -47.01 86.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.377 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -54.75 -34.26 62.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.641 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.1 mtm -66.43 -58.6 4.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.313 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -59.6 -29.12 67.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.746 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -37.86 85.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.145 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -78.49 -32.16 48.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.274 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 2.2 mp -75.36 -30.38 60.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.51 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -73.99 -41.97 61.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.713 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.08 -31.45 62.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.709 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.64 -30.81 46.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.956 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.1 mt -77.57 -29.18 51.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.815 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -74.76 -31.13 61.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.809 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.3 mt -69.47 -34.91 75.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -63.59 -31.52 72.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -62.05 -31.97 72.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.13 72.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.07 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -68.38 -35.3 77.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -107.98 33.35 4.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.403 -1.22 . . . . 0.0 112.513 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.819 0.342 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -96.85 152.85 18.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -133.99 91.92 2.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.75 148.34 47.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 21.9 tp -160.43 98.65 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -67.48 102.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 27.3 mm -82.25 131.13 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.434 ' CG ' ' CE1' ' C' ' 327' ' ' TYR . 3.5 tmt_? -96.74 77.21 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 160.72 127.87 0.92 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -31.03 69.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.337 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -75.83 -51.84 11.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -56.64 -43.74 80.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.674 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -61.45 -45.83 92.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.403 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.25 -34.67 64.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.648 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.9 ttm -66.44 -58.27 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.334 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -61.72 -29.53 70.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.664 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -68.26 -33.45 74.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.247 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -81.12 -32.91 33.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.287 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 2.7 mp -77.67 -31.02 52.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.457 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -75.68 -37.93 59.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.614 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -72.27 -35.72 68.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.666 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.96 -33.93 70.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -70.03 -38.65 75.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.75 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -64.74 -31.03 72.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.04 -43.23 93.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -59.95 -37.41 79.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -70.56 -31.92 69.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.37 -31.31 62.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -72.32 -31.72 65.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -103.46 77.93 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.529 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.786 0.327 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' B' ' 333' ' ' ARG . 66.1 m-85 -147.87 118.11 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -107.39 105.16 14.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.17 149.3 49.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 18.4 tp -153.13 113.92 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -90.33 109.95 21.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -110.01 145.25 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -98.7 77.35 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 174.05 111.39 0.27 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 22.8 ptt-85 -61.49 -33.31 73.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.341 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -72.78 -42.75 63.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -58.61 -50.58 73.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.731 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -58.32 -43.26 88.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.378 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -54.81 -35.39 63.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.591 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.3 mmm -66.32 -61.04 2.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.104 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -60.39 -27.28 67.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.716 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -33.41 74.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.978 0.418 . . . . 0.0 110.062 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.08 -31.44 34.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.24 179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 3.7 mp -76.61 -31.76 57.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.534 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -76.08 -40.65 52.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.672 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -73.87 -30.83 62.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.658 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.33 -31.18 60.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 8.6 mt -74.02 -38.41 64.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.754 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.04 -31.71 70.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.801 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 9.0 mt -67.43 -34.45 77.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.64 -33.9 74.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.798 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.02 -36.97 85.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.98 -31.32 69.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.093 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -112.17 29.19 8.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -150.88 165.63 33.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.091 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.424 -1.209 . . . . 0.0 112.488 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.826 0.346 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -71.18 118.11 13.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -107.24 110.55 22.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.59 152.96 42.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 61.6 tp -153.59 115.83 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.89 115.66 25.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 29.8 mm -101.05 115.2 42.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.418 ' HB3' ' CE2' ' A' ' 327' ' ' TYR . 4.6 ptm180 -86.47 69.34 10.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 164.53 121.92 0.58 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -28.37 67.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.722 0.296 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.12 -51.38 12.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -46.02 78.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.687 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -60.79 -45.52 94.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.371 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -55.6 -35.2 65.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.676 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 5.0 ttp -67.64 -58.43 4.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.248 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -62.62 -25.98 68.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.7 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -71.91 -40.57 68.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.197 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -76.58 -30.67 57.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.316 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 71.0 mt -76.63 -31.68 57.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.602 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -72.29 -39.22 68.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.509 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -69.09 -42.56 76.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.671 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.82 -26.23 62.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 4.0 mp -74.93 -31.46 61.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.822 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -70.0 -31.0 68.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 10.1 mt -71.0 -45.6 63.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -31.28 71.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -70.39 -31.5 68.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.06 -31.3 61.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -91.62 -38.2 12.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -85.33 159.21 20.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.482 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . 0.42 ' HG3' ' CZ ' ' C' ' 328' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.813 0.339 . . . . 0.0 111.18 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -108.15 152.82 24.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.42 ' CZ ' ' HG3' ' C' ' 326' ' ' GLU . 47.6 m-85 -153.81 97.54 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.2 m -68.72 143.55 54.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 14.7 tp -143.33 115.07 8.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -94.13 84.15 4.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -92.04 129.28 42.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.58 32.57 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -118.41 114.58 2.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -50.58 72.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.326 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -70.08 -41.49 74.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.43 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 1.5 tpp85 -59.31 -51.53 69.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.702 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -59.74 -43.3 94.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.268 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.78 -35.1 65.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.548 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.1 mmm -66.05 -60.13 3.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.162 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.456 ' CD2' ' CD1' ' D' ' 341' ' ' PHE . 5.4 m-85 -60.08 -27.81 67.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.694 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.6 ttp85 -67.63 -33.73 75.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.201 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -81.1 -31.61 34.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.339 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 7.1 mt -78.48 -30.19 47.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.596 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -77.64 -36.97 50.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.677 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -75.16 -31.72 61.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.774 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.79 -31.91 57.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.53 -33.25 60.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.77 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -73.01 -33.24 65.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.57 -31.6 68.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -67.13 -31.67 72.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.66 -31.37 72.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.51 -41.58 84.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.05 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -61.08 -32.12 71.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.32 121.37 40.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.546 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.833 0.349 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -84.9 103.1 13.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -88.07 97.72 11.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.53 140.28 46.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -136.23 115.35 12.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -96.75 86.09 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -76.74 137.18 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.29 34.35 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -144.14 140.18 9.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.466 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -74.1 -56.74 4.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -62.74 -35.91 81.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.451 ' HG3' ' CE2' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -60.58 -53.34 58.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.602 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -61.1 -45.12 96.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.052 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -56.59 -32.45 65.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.343 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.5 ttp -66.61 -60.67 2.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.139 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.456 ' CD1' ' CD2' ' C' ' 341' ' ' PHE . 5.0 m-85 -59.39 -29.41 67.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.97 -39.6 83.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.134 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -76.55 -29.86 56.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.156 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.1 mp -74.54 -37.08 63.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.502 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -69.45 -39.23 77.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.786 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -75.74 -31.13 59.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.731 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.61 -31.63 41.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 1.5 mt -77.96 -28.1 49.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.769 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -75.65 -29.84 59.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.778 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 8.6 mt -72.11 -39.77 68.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.45 -32.84 70.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.2 -31.63 67.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.24 -31.16 69.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -92.45 -31.29 15.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -111.68 84.98 2.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.474 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.78 0.324 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 63.15 140.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -150.03 114.61 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.18 152.89 31.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 6.8 tp -142.86 103.75 4.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.406 ' HB3' ' CD1' ' B' ' 327' ' ' TYR . 22.0 mt-30 -90.17 104.4 16.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 26.9 mm -107.55 103.83 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.416 ' HB2' ' CE1' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -64.14 -31.92 73.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -75.58 132.96 13.77 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -73.41 -40.95 63.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -71.36 -42.78 68.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.412 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 0.1 OUTLIER -57.73 -48.91 78.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.776 179.867 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.421 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 11.0 t80 -59.17 -46.23 88.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.415 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -54.81 -34.66 63.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.599 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.7 tmm? -65.9 -59.01 4.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.273 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.412 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 5.8 m-85 -58.19 -28.77 65.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.784 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -65.05 -40.0 94.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.059 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -76.37 -32.76 58.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.179 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.27 -29.76 64.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.361 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.08 -47.75 49.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.635 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -69.86 -31.18 68.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.767 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.58 -31.39 57.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.067 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -74.05 -31.29 62.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.78 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -69.24 -32.11 71.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.789 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.47 -32.79 58.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.803 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -73.88 -31.36 63.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -71.07 -31.48 67.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.73 -31.15 70.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -95.89 -36.35 11.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.94 -55.93 27.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.41 -1.216 . . . . 0.0 112.469 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . 0.401 ' O ' ' CE1' ' B' ' 328' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.852 0.358 . . . . 0.0 111.154 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.416 ' CE1' ' HB2' ' A' ' 333' ' ' ARG . 13.8 m-85 -76.86 106.7 8.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.421 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 20.8 m-85 -98.79 96.88 8.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.3 149.42 33.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 7.4 tp -151.32 107.52 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -80.12 108.53 13.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -99.21 133.76 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.73 30.81 3.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -137.88 114.3 1.07 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -60.79 -35.7 77.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -74.58 -50.46 17.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.421 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 5.4 ttm180 -56.83 -42.74 80.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.773 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -61.48 -46.6 89.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.395 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -54.58 -34.7 62.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.727 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -65.76 -58.25 6.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.338 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.421 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 5.2 m-85 -60.03 -30.77 69.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.715 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -33.34 75.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.969 0.414 . . . . 0.0 110.168 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -81.97 -30.92 31.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.291 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.81 -30.2 45.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.616 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -79.24 -37.67 37.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.578 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -77.17 -30.58 54.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.647 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.1 -30.84 44.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 9.2 mt -77.65 -32.04 53.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.706 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.46 -30.35 63.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.741 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.05 -34.31 75.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -63.13 -33.04 74.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.66 -31.52 69.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.13 -38.29 85.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.09 -32.81 74.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -83.99 121.59 27.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.323 -1.265 . . . . 0.0 112.493 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . 0.411 ' HG2' ' CZ ' ' C' ' 328' ' ' PHE . 1.1 tp10 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.791 0.329 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -134.72 113.41 11.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.411 ' CZ ' ' HG2' ' C' ' 326' ' ' GLU . 8.3 m-85 -101.24 111.32 23.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.2 m -76.33 114.05 14.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 18.5 tp -102.62 108.67 20.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -97.97 102.04 13.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -102.6 139.48 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.4 34.22 2.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -138.28 119.96 1.9 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.439 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -60.32 -51.64 68.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.781 0.324 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -65.57 -34.89 79.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.426 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 0.8 OUTLIER -60.78 -53.1 61.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.76 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -57.86 -43.81 86.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.315 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -55.39 -34.63 64.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.52 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.3 ttp -66.78 -61.08 2.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.088 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.456 ' CD2' ' CD2' ' D' ' 341' ' ' PHE . 5.9 m-85 -59.56 -26.51 65.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.698 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -67.47 -36.09 80.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.071 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -77.86 -33.0 52.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.242 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 3.5 mp -72.55 -31.24 65.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.411 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.96 -46.51 57.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.574 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -68.97 -33.57 73.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.779 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.11 -31.46 62.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 10.1 mt -71.92 -34.36 69.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.771 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.55 -31.25 71.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.853 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 8.8 mt -63.9 -36.41 83.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 53.8 mttt -65.68 -32.77 74.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -66.93 -32.68 74.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.31 -32.67 74.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -80.83 -47.32 14.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . 60.54 32.9 20.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.432 -1.205 . . . . 0.0 112.511 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . 0.401 ' O ' ' CE2' ' D' ' 328' ' ' PHE . 6.9 mp0 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.829 0.347 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -91.07 152.44 20.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.401 ' CE2' ' O ' ' D' ' 326' ' ' GLU . 31.8 m-85 -141.4 126.33 18.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 7.1 m -98.54 152.77 19.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 18.7 tp -151.47 106.18 3.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.19 83.6 3.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -78.84 127.13 39.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 18.0 ptt85 -98.4 32.85 2.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.46 111.12 0.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.403 ' HG3' ' CZ ' ' C' ' 328' ' ' PHE . 3.8 ttp180 -62.44 -31.05 71.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -60.38 2.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 -56.34 -40.47 74.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -63.87 -39.37 94.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.243 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -57.65 -41.21 81.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.767 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.5 ttp -62.17 -54.39 41.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.418 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.456 ' CD2' ' CD2' ' C' ' 341' ' ' PHE . 2.8 m-85 -60.95 -36.41 79.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.807 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -37.34 86.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.221 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -79.01 -30.22 44.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.324 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 29.0 mt -78.43 -31.85 48.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.66 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -76.19 -35.31 59.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.71 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -75.68 -37.06 59.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.574 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.55 -33.3 64.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.611 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.74 -41.53 53.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.344 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.55 -25.81 65.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.241 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.3 tp -66.03 -41.02 91.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.69 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -67.05 -42.93 83.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -68.15 -31.5 71.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.09 -33.46 70.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -87.79 -31.6 19.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -90.38 -170.51 2.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.552 -179.944 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 2.3 mt-10 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.775 0.321 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -105.79 153.07 22.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 326' ' ' GLU . 17.6 m-85 -151.66 92.09 1.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 3.1 m -62.14 130.92 47.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 33.1 tp -133.0 113.21 12.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.74 106.06 18.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.32 119.89 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.51 -32.09 71.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -75.55 131.17 11.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.522 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -72.08 -40.07 68.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -70.78 -41.27 71.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -47.08 85.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.699 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.415 ' CZ ' HD12 ' B' ' 330' ' ' LEU . 11.3 t80 -59.22 -46.98 87.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.503 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -54.73 -34.22 62.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.642 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.6 mtp -66.58 -58.61 4.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.308 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.481 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 3.5 m-85 -60.99 -28.99 69.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -69.63 -36.69 76.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.934 0.397 . . . . 0.0 110.23 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -79.92 -30.88 40.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.299 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 40.4 mt -76.98 -29.21 55.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.64 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -76.81 -40.96 46.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.689 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -73.37 -30.32 63.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.752 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.28 -32.3 55.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.82 -31.39 59.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.784 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.63 -33.31 62.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.44 -40.26 57.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.806 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -28.68 61.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.9 -30.77 56.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.38 -30.2 64.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.074 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -68.97 -34.8 75.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -107.75 -67.45 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.088 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.543 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.84 0.352 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 60.29 97.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.406 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 10.7 m-85 -107.34 102.43 11.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.63 144.84 50.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.415 HD12 ' CZ ' ' A' ' 338' ' ' PHE . 12.7 tp -144.84 98.82 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -69.33 88.53 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 27.7 mm -73.82 141.35 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -118.54 39.62 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -151.38 141.6 8.75 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -73.79 -60.37 2.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.751 0.31 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -60.75 -36.01 77.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.467 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -60.97 -54.16 48.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.583 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -61.14 -43.99 98.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.082 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -57.24 -32.22 66.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.358 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 4.5 tmm? -67.38 -60.76 2.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.177 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.481 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 5.2 m-85 -58.77 -27.0 64.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.7 179.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -66.39 -39.68 89.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.205 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -74.78 -33.05 62.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.963 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.96 -42.59 63.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.236 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -66.33 -38.85 88.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.713 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -77.15 -30.38 54.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.696 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.87 -29.77 40.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.981 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 38.3 mt -79.62 -30.45 41.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.84 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.14 -30.36 55.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.806 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.23 -31.15 63.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.818 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -68.61 -31.46 70.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.82 -31.62 72.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.7 -34.06 71.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -81.02 -44.54 17.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -107.5 77.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.482 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 22.0 pm0 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.801 0.334 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -154.84 152.21 29.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -154.55 132.5 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.77 114.14 27.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.447 ' CD1' ' CE2' ' D' ' 338' ' ' PHE . 13.7 tp -105.25 97.25 7.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 16.9 mp0 -77.34 115.74 17.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 28.2 mm -114.6 113.19 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.198 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -30.69 71.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -80.93 130.81 9.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -40.66 68.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -70.91 -41.9 70.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.477 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 4.8 tpp180 -57.73 -48.6 79.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.451 ' CZ ' ' CD1' ' D' ' 330' ' ' LEU . 10.4 t80 -58.79 -46.67 87.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.397 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -54.67 -32.55 59.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.475 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 3.5 tpp -67.14 -62.19 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.973 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.477 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 6.7 m-85 -60.34 -28.0 67.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.965 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -34.75 70.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.968 0.413 . . . . 0.0 110.155 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -80.51 -29.62 37.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.188 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.6 mp -75.74 -32.64 60.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.598 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -75.32 -42.15 55.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.662 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -75.51 -30.18 59.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.654 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.78 -29.97 40.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 8.0 mt -78.49 -29.86 46.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.76 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -75.32 -29.83 60.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 10.1 mt -74.17 -40.8 62.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -68.82 -30.61 69.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -69.4 -31.79 70.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.803 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.08 -30.91 70.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -69.63 -47.24 64.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.42 87.23 2.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.371 -1.239 . . . . 0.0 112.51 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.813 0.339 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 60.55 110.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -130.94 109.76 10.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.26 142.41 45.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.451 ' CD1' ' CZ ' ' C' ' 338' ' ' PHE . 13.5 tp -128.47 92.72 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -72.69 84.05 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.4 mt -88.42 142.1 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -98.85 35.64 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -137.25 115.35 1.23 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.29 -50.83 72.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.828 0.347 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -65.8 -35.02 79.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.438 ' HG3' ' CE1' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -60.29 -52.78 63.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.728 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.447 ' CE2' ' CD1' ' C' ' 330' ' ' LEU . 8.7 t80 -58.5 -45.27 89.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.34 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -55.27 -33.76 63.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.492 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.6 ttp -66.5 -60.73 2.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.158 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.438 ' CE1' ' HG3' ' D' ' 337' ' ' ARG . 6.2 m-85 -59.59 -27.99 66.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.771 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -67.75 -34.08 76.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.917 0.389 . . . . 0.0 110.169 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -80.21 -30.4 38.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.352 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.26 -30.78 57.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.664 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -76.13 -41.68 49.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.652 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -74.31 -31.54 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.708 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.69 -30.67 46.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 5.7 mt -77.12 -29.2 54.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.76 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -73.66 -30.81 63.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.755 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 mt -74.17 -45.21 50.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.764 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -28.82 65.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.767 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -74.58 -30.49 61.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.807 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.48 -31.05 69.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -84.63 -44.14 13.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -63.54 162.3 13.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.508 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.794 0.33 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -82.63 152.96 25.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -139.94 94.55 2.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.75 124.92 25.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 16.0 tp -115.24 107.66 15.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -76.33 96.7 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -100.63 137.43 28.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -97.42 38.65 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -137.27 117.84 1.6 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.43 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -48.51 81.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.961 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -69.98 -40.41 75.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.432 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 2.6 ttp-105 -59.97 -52.71 64.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.635 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.401 ' CD2' ' HB2' ' B' ' 330' ' ' LEU . 7.2 t80 -62.67 -43.73 98.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.973 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -57.47 -32.02 66.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.306 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.7 ttm -66.79 -60.67 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.177 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.445 ' CD2' ' CD1' ' B' ' 341' ' ' PHE . 5.0 m-85 -60.23 -28.7 68.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.743 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -35.69 78.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.981 0.42 . . . . 0.0 110.175 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -79.87 -31.51 40.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.195 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 2.1 mp -75.43 -30.84 60.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.497 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -74.78 -42.64 57.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.727 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -73.33 -31.91 64.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.696 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.84 -30.28 56.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.963 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 15.1 mt -75.6 -33.0 60.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -72.24 -32.89 67.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.94 -36.84 75.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -64.8 -33.55 76.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -32.4 73.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.13 -31.14 55.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -78.27 -31.47 49.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -76.46 116.16 16.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.487 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.824 0.345 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 62.55 118.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -131.23 102.07 5.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 3.0 m -64.27 119.5 10.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.401 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 24.9 tp -107.29 98.78 8.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -69.94 84.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -81.02 153.19 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.66 99.19 5.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 140.66 141.46 4.01 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.6 -36.87 68.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.33 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -77.03 -43.28 35.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.423 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 3.8 ttp180 -59.45 -52.49 65.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -62.75 -42.65 99.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.968 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -57.91 -32.36 67.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.368 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttm -67.33 -60.64 2.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.172 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.445 ' CD1' ' CD2' ' A' ' 341' ' ' PHE . 4.6 m-85 -59.97 -26.92 66.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.758 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.92 -36.93 81.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.173 179.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -76.48 -34.91 58.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.336 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 26.8 mt -72.38 -29.78 64.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.488 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -72.38 -44.55 62.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.722 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -70.26 -31.21 68.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.768 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.83 -34.15 60.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 1.5 mt -72.84 -30.52 64.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -70.93 -29.33 65.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 mt -69.97 -44.43 69.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -62.54 -29.52 70.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -66.98 -39.93 87.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.65 -31.4 63.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -79.82 -31.5 40.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.78 96.38 10.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.518 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . 0.412 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 3.6 mt-10 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.814 0.34 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -103.87 147.48 27.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.412 ' CZ ' ' HB3' ' C' ' 326' ' ' GLU . 20.7 m-85 -144.35 123.39 12.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.35 94.35 8.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 21.1 tp -95.21 119.24 33.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -101.12 126.53 47.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -131.43 153.67 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -98.21 31.11 2.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -123.33 105.13 0.89 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.481 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -58.8 -43.6 90.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.763 0.316 . . . . 0.0 110.982 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -72.28 -38.34 68.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.416 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 5.7 ttm180 -60.57 -48.64 80.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.661 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.441 ' CE2' ' CD1' ' D' ' 330' ' ' LEU . 10.7 t80 -59.23 -46.35 88.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.448 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -55.31 -33.7 63.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.672 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.8 ttp -66.97 -58.51 4.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.319 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.416 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.9 m-85 -60.31 -29.05 68.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.685 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -66.95 -35.33 79.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.171 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -78.61 -32.43 47.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.372 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 20.4 mt -74.54 -30.03 61.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.596 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -74.33 -43.55 56.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.647 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.73 -31.8 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.693 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.12 -26.85 48.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -78.61 -28.03 45.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -76.98 -34.61 57.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.201 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 pp -76.26 -32.56 58.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.126 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -78.1 -28.88 48.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.792 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -75.58 -30.07 59.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.05 -31.3 67.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -75.95 -45.98 32.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -91.97 -175.89 4.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.089 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.468 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.79 0.329 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 61.15 112.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -120.11 115.26 23.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 23.3 m -68.78 138.27 54.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.441 ' CD1' ' CE2' ' C' ' 338' ' ' PHE . 41.4 tp -130.71 108.77 10.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -87.36 111.42 21.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 23.3 mm -104.01 132.43 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.135 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -100.89 35.67 2.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -152.65 135.36 4.89 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -76.21 -44.94 35.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.336 . . . . 0.0 111.011 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -63.76 -55.32 24.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -55.76 -46.64 77.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.777 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -59.55 -40.03 85.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.367 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.94 -41.22 77.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.741 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -62.57 -54.91 32.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.396 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -58.92 -33.73 70.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.777 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -62.95 -38.68 92.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.216 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -77.8 -31.19 51.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.213 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.2 mp -74.2 -31.52 62.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.51 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -73.16 -43.87 60.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.76 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -72.94 -30.04 63.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.804 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.59 -30.7 41.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 1.2 mt -79.28 -25.93 42.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -81.34 -34.15 32.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.5 pp -79.41 -29.06 41.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.942 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.21 -28.58 34.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.766 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -78.25 -30.34 48.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.52 -30.92 61.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.038 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -72.03 -35.76 69.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.66 140.35 38.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.36 -1.245 . . . . 0.0 112.485 -180.0 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.843 0.354 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -141.53 152.56 44.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -148.65 92.5 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 3.9 m -71.24 152.85 42.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.415 HD12 ' CE1' ' B' ' 338' ' ' PHE . 13.5 tp -150.57 101.44 2.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -77.23 88.22 3.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.9 mt -92.62 130.68 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -97.79 74.88 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.7 122.99 0.87 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.521 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -69.19 -31.54 70.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -75.99 -52.17 10.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -56.43 -43.47 79.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.65 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -61.56 -46.14 91.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.394 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -55.22 -34.66 64.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.677 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.4 ttm -66.55 -58.17 5.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.398 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.427 ' CD2' ' CD2' ' B' ' 341' ' ' PHE . 2.5 m-85 -62.74 -29.43 70.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.723 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -70.92 -36.77 72.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.213 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -79.01 -31.3 44.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.319 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.72 -32.08 57.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.516 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -74.27 -38.61 63.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.799 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -75.48 -32.32 60.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.698 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.28 -30.58 48.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.958 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 4.5 mt -77.76 -29.99 51.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -75.69 -30.82 59.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.5 mt -72.38 -32.31 66.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -67.83 -35.31 78.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -64.85 -40.34 95.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.49 -31.49 71.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -62.85 -33.07 74.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -82.52 156.98 23.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.478 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.8 0.333 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 60.33 96.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -104.03 106.2 16.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.4 m -74.97 107.83 7.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 38.8 tp -102.69 119.04 38.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -99.35 103.59 15.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -104.62 145.53 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.88 38.1 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.24 135.81 8.31 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -73.49 -64.37 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -59.54 -35.67 74.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.45 ' HG3' ' CE1' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -60.34 -52.69 64.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.716 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.415 ' CE1' HD12 ' A' ' 330' ' ' LEU . 8.5 t80 -59.25 -45.03 92.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.232 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -55.87 -32.55 63.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.432 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.6 ttp -67.49 -61.52 1.86 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.088 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.45 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 5.0 m-85 -60.24 -26.59 66.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.76 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.43 -36.17 76.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.205 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.01 -31.79 44.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.339 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 7.3 mt -76.46 -29.89 57.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.602 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -75.74 -39.87 56.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.744 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -73.97 -33.7 63.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.725 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.08 -31.63 56.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 4.4 mt -75.61 -29.69 59.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.697 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -71.88 -30.28 65.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.791 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 14.0 mt -66.86 -37.2 84.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -64.36 -31.89 73.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -73.67 -32.54 64.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.98 -33.03 67.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -71.06 -38.02 72.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -108.38 -176.67 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.491 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.811 0.338 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -98.03 153.27 18.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.407 ' HB3' ' CD2' ' D' ' 338' ' ' PHE . 20.5 m-85 -142.55 112.57 7.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.55 125.05 48.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 5.2 tp -123.08 119.78 31.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -84.3 96.75 9.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -93.52 113.29 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -30.19 66.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -79.52 123.2 6.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.5 ptp85 -70.42 -31.36 68.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.955 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -68.89 -55.35 11.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.4 ttm105 -55.92 -38.38 70.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.695 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.412 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 11.7 t80 -63.26 -47.17 83.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.395 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -54.2 -35.56 62.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.634 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.33 -58.59 5.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.275 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.431 ' CD2' ' CD2' ' D' ' 341' ' ' PHE . 3.4 m-85 -61.27 -30.41 70.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.832 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 23.8 ttp85 -69.9 -35.99 75.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.989 0.423 . . . . 0.0 110.221 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -79.93 -29.88 39.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.324 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.53 -30.27 52.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.63 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -77.28 -39.06 49.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.725 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -30.49 61.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.792 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.77 -32.67 52.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.006 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 51.1 mt -75.69 -31.27 59.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.732 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -72.68 -29.63 63.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.804 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -70.14 -40.19 74.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -71.6 -34.92 70.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.93 -30.65 62.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.84 -34.82 62.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -83.01 -31.62 27.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -93.33 77.09 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.472 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.818 0.342 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 61.69 152.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.412 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 35.6 m-85 -154.87 94.11 1.62 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 6.3 m -61.13 114.85 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 8.9 tp -107.44 119.21 38.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -104.11 125.18 50.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -128.5 136.48 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -99.57 34.21 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.01 142.08 13.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.535 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -75.02 -64.3 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -58.81 -35.16 72.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.443 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 2.2 ttp-105 -60.88 -54.03 50.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.6 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.407 ' CD2' ' HB3' ' C' ' 328' ' ' PHE . 8.0 t80 -60.79 -44.86 96.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.035 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.68 -30.52 63.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.641 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -59.08 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.162 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.443 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.0 m-85 -61.09 -29.86 70.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.091 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -31.97 69.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.924 0.392 . . . . 0.0 110.186 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -80.69 -33.6 35.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.215 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.95 -32.23 67.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.348 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.13 -48.1 46.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.477 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.24 -31.16 69.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.81 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.75 -31.37 59.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.011 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.78 -33.98 66.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.694 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.25 -31.44 71.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -69.59 -32.82 71.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -64.72 -31.84 73.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -62.0 -31.95 72.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.06 -31.08 69.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.072 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -67.75 -42.59 81.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.77 174.56 7.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.517 -179.942 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.836 0.351 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 60.46 106.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.404 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 21.4 m-85 -115.53 116.8 28.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 1.8 m -78.83 127.09 31.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 18.2 tp -118.91 91.36 3.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.02 97.33 5.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -106.46 137.2 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.62 30.97 4.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -121.42 127.99 7.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.8 ttp85 -66.59 -65.19 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.68 -36.37 76.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.468 ' HG3' ' CE2' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -59.84 -51.79 68.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.735 179.805 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -59.79 -46.45 89.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.22 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.74 -31.33 62.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.359 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -67.23 -61.52 1.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.101 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.468 ' CE2' ' HG3' ' A' ' 337' ' ' ARG . 7.0 m-85 -58.63 -28.04 65.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -35.31 78.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.961 0.41 . . . . 0.0 110.232 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -80.1 -29.94 39.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.315 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.17 -30.9 55.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.597 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -76.76 -39.58 51.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.791 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -75.11 -30.34 60.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.743 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.7 -32.26 46.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.012 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.0 mt -77.12 -29.54 54.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.746 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -74.63 -29.93 61.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.6 mt -72.3 -40.49 67.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.46 -31.36 68.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -72.4 -31.65 65.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.11 -31.55 66.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -69.0 -33.41 73.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -100.21 78.22 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.491 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.84 0.352 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 60.32 96.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.412 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 5.7 m-85 -107.71 100.44 9.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.8 m -82.04 139.84 34.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.8 tp -137.59 119.04 14.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -102.69 90.09 3.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -90.09 142.34 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.114 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -98.48 32.84 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -120.51 116.07 3.11 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.469 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 23.1 ttp85 -60.25 -52.64 64.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -69.59 -42.53 74.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -45.93 84.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.775 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.404 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 12.7 t80 -59.42 -48.07 83.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.496 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -54.73 -33.37 61.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.694 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.0 mtm -67.05 -57.96 5.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.391 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.419 ' HB3' ' CG ' ' A' ' 341' ' ' PHE . 2.5 m-85 -62.16 -29.8 70.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.74 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -70.38 -36.85 74.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.236 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -78.85 -31.15 45.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.332 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.12 -30.56 58.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.575 179.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -75.23 -40.75 58.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.768 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -71.72 -31.4 66.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.29 -34.9 61.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.015 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -72.39 -32.12 66.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.738 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.95 -30.1 67.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -42.9 79.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -31.15 69.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -61.98 -36.93 82.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.0 -31.34 72.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.094 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -85.45 -49.75 7.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -99.44 122.33 42.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.351 -1.25 . . . . 0.0 112.503 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.815 0.341 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.405 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 8.0 m-85 63.21 139.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -153.06 114.32 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.57 143.02 50.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.413 HD12 ' CE2' ' D' ' 338' ' ' PHE . 15.9 tp -140.95 102.06 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -102.69 95.98 6.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 23.5 mt -106.64 152.96 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -105.21 36.32 2.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -125.11 112.39 1.71 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.437 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -64.19 -42.4 96.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -73.0 -46.58 51.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -57.2 -43.14 82.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.703 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -61.1 -48.86 79.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.419 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -54.27 -33.24 58.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.647 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.2 ttm -66.77 -58.02 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.346 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.432 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 3.4 m-85 -60.13 -30.56 69.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.693 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.38 -38.26 87.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.191 179.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -78.14 -32.16 50.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.267 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 61.5 mt -74.84 -29.78 61.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.458 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -73.82 -43.76 57.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.58 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -69.45 -34.64 74.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.709 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.09 -33.43 70.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -68.9 -39.19 79.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.669 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -61.98 -31.79 72.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.773 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.86 -52.64 27.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.732 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -29.68 69.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -76.03 -30.85 58.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.31 -31.06 65.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -76.75 -40.88 46.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.26 -179.84 2.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.318 -1.268 . . . . 0.0 112.494 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . 0.413 ' HG2' ' CZ ' ' D' ' 328' ' ' PHE . 42.1 tt0 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.821 0.343 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -121.32 151.75 39.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.413 ' CZ ' ' HG2' ' D' ' 326' ' ' GLU . 25.1 m-85 -132.15 108.81 9.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.49 126.38 30.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 14.6 tp -131.96 112.34 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -87.98 93.65 9.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.428 HD11 HG22 ' D' ' 332' ' ' ILE . 27.4 mm -79.31 134.09 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.405 ' HG3' ' CE2' ' C' ' 327' ' ' TYR . 9.6 ttp180 -98.67 30.8 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.42 127.22 4.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.431 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.9 ptt-85 -70.28 -47.69 60.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.788 0.328 . . . . 0.0 110.928 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -39.39 61.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.0 mtm105 -62.0 -44.71 96.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.9 0.381 . . . . 0.0 110.548 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.413 ' CE2' HD12 ' C' ' 330' ' ' LEU . 12.4 t80 -61.31 -48.07 83.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.31 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -54.94 -32.48 61.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.564 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.13 -59.03 3.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.252 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.432 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 3.6 m-85 -60.21 -29.68 68.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.742 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -67.47 -37.82 83.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.138 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -78.66 -32.04 47.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.203 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.5 mp -75.31 -30.47 60.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.474 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -73.68 -42.59 61.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.671 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.34 -32.4 66.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.66 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.12 -30.75 62.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.913 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -72.74 -39.07 67.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.684 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -68.95 -34.54 75.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.04 -31.54 72.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.84 -32.38 73.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.803 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.69 -31.71 70.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.5 -31.68 71.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -117.2 30.63 7.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.26 82.42 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.467 -179.929 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.758 0.313 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -140.23 146.09 38.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -144.62 92.95 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.23 128.7 33.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -132.37 115.77 16.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.408 ' HB3' ' CE2' ' B' ' 327' ' ' TYR . 2.9 mt-30 -85.91 99.51 11.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -89.59 147.0 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.06 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 18.0 mtm180 -103.51 35.88 2.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.44 138.3 10.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.513 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 7.9 ttt-85 -75.48 -64.49 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -59.62 -36.61 76.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.435 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 22.8 ttp180 -60.39 -53.37 58.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.589 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -61.47 -45.25 95.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.047 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.0 -31.39 65.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.439 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.59 -59.43 3.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.303 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.483 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 2.1 m-85 -61.75 -28.06 69.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.682 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 15.6 ttp85 -70.41 -38.52 74.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.345 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -78.33 -32.13 49.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.379 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 7.9 mt -77.61 -28.69 51.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.567 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -76.6 -37.76 55.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.707 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -74.0 -32.79 63.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.792 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.55 -31.66 60.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 11.6 mt -75.1 -33.78 61.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -71.91 -31.48 66.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.15 -37.46 75.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -64.19 -31.56 72.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.06 -31.44 72.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.42 -37.03 68.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -71.66 -35.57 70.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -82.87 -50.5 8.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.504 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.873 0.368 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.408 ' CE2' ' HB3' ' A' ' 331' ' ' GLN . 0.3 OUTLIER -153.71 135.36 14.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -150.03 127.19 11.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.61 112.89 24.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.4 tp -109.05 122.22 46.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -94.44 111.58 23.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.463 HD11 HG22 ' B' ' 332' ' ' ILE . 24.4 mm -103.5 119.63 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.63 32.87 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -142.32 125.87 2.78 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -60.34 -49.14 78.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.337 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -69.82 -39.85 76.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.426 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 3.5 ttm180 -59.28 -51.62 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.69 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -59.83 -45.01 93.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.265 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -55.82 -33.55 64.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.483 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.7 ttm -66.02 -60.24 3.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.183 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.483 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 6.9 m-85 -58.16 -29.15 65.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -36.79 84.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.967 0.413 . . . . 0.0 110.114 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.65 -31.91 47.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.307 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.69 -31.9 62.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.45 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -72.56 -43.16 63.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.633 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -70.57 -36.11 73.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.621 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.11 -30.84 65.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 10.1 mt -71.37 -37.42 71.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.705 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -64.62 -30.95 71.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 1.2 mp -66.8 -46.86 73.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -59.32 -30.87 68.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.29 -31.56 58.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.29 -35.29 55.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -82.13 -30.85 30.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.85 172.72 8.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.519 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.791 0.329 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -156.02 128.47 7.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -129.01 128.74 44.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.28 101.01 11.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 12.2 tp -93.69 106.28 18.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -83.88 113.71 21.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.9 mt -116.61 145.38 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.403 ' HG3' ' CE1' ' D' ' 327' ' ' TYR . 1.8 ttm180 -98.16 35.62 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -138.52 120.61 1.99 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 13.2 ttt85 -68.02 -33.06 73.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.21 -48.67 27.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -55.89 -43.59 77.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.716 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -61.29 -49.16 78.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.378 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.46 -32.62 58.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.641 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.7 -58.07 5.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.316 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -61.91 -31.61 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.716 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -36.15 75.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.152 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -80.09 -31.86 39.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.16 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.03 -30.62 58.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.476 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -74.72 -41.93 59.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.645 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -71.45 -34.62 70.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.685 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.95 -30.73 65.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.834 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.09 -41.06 71.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.686 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.35 -31.45 72.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.51 -33.98 69.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -66.7 -35.31 79.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -66.54 -31.85 72.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.24 -31.2 54.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -88.1 -35.38 17.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -109.23 140.9 42.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.494 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.831 0.348 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.403 ' CE1' ' HG3' ' C' ' 333' ' ' ARG . 8.4 m-85 -99.45 152.85 19.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -147.86 152.64 37.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 66.5 m -139.25 134.43 32.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.99 117.83 19.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.36 84.55 6.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -77.47 141.6 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -97.72 38.13 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -146.14 125.33 2.24 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.455 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -74.58 -33.03 62.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 0.0 111.039 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -71.28 -62.72 1.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.0 ptp85 -52.87 -43.0 65.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -61.04 -39.79 91.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.299 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -56.65 -41.89 77.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.618 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.1 mtm -62.14 -55.89 24.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.412 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -59.33 -31.38 69.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.788 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -37.23 86.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.951 0.405 . . . . 0.0 110.267 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -77.75 -32.39 52.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.299 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 82.8 mt -74.13 -29.48 61.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.595 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -74.53 -43.86 53.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.722 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -71.58 -31.93 67.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.806 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.89 -31.1 59.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.983 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.76 -34.09 64.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.733 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -68.63 -31.36 70.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.97 -47.22 53.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -29.43 67.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -75.98 -30.91 58.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.73 -36.3 65.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -84.67 -31.57 24.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -90.55 104.14 16.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.462 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . 0.404 ' HG2' ' CE2' ' A' ' 328' ' ' PHE . 10.8 tt0 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.816 0.341 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -80.11 146.75 31.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.404 ' CE2' ' HG2' ' A' ' 326' ' ' GLU . 41.2 m-85 -134.71 98.56 4.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.01 143.9 57.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.42 HD12 ' CE2' ' B' ' 338' ' ' PHE . 14.7 tp -144.31 100.72 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -77.96 83.89 4.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -88.4 126.87 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 9.5 ttp85 -87.53 72.81 9.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -168.64 113.07 0.51 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.409 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 11.7 ptp180 -62.4 -41.24 98.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -75.76 -44.7 40.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -48.61 78.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.685 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -60.45 -46.83 88.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.242 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.46 -32.86 63.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.3 ttp -67.1 -59.52 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.189 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -59.92 -29.15 68.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.799 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -41.02 79.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.995 0.426 . . . . 0.0 110.168 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -76.11 -31.54 58.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.217 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.7 -31.58 63.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.497 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -71.57 -44.04 65.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.802 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.07 -34.76 73.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.779 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.45 -36.7 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 10.8 mt -77.08 -27.14 54.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.64 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.92 -29.07 58.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.662 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.07 -37.6 78.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.774 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 7.0 mtpp -65.08 -31.33 72.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.91 -32.11 73.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.45 -34.26 73.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -84.87 -37.94 20.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . 60.6 111.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.376 -1.236 . . . . 0.0 112.52 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.816 0.341 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 60.56 98.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.409 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 6.1 m-85 -110.89 109.98 20.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.7 m -74.68 132.43 41.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 6.2 tp -134.59 105.2 6.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -100.77 114.99 29.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.401 ' N ' ' CD1' ' B' ' 332' ' ' ILE . 3.1 mp -101.1 149.38 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -98.8 31.15 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -143.46 120.53 1.52 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -32.04 70.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.35 -46.18 23.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.432 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 1.5 tpp180 -58.11 -50.15 74.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.665 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.42 ' CE2' HD12 ' A' ' 330' ' ' LEU . 7.4 t80 -60.48 -43.8 96.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.176 179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -55.4 -34.75 64.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.604 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 24.1 ttm -65.7 -60.08 3.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.23 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.432 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 7.4 m-85 -58.75 -28.53 65.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -36.84 84.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.987 0.422 . . . . 0.0 110.056 179.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -78.3 -31.08 48.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.319 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 2.3 tp -75.71 -30.7 59.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.587 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -74.53 -41.45 60.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.69 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -72.15 -35.05 68.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.76 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.7 -31.87 59.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 4.2 mt -74.44 -29.27 61.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.752 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -70.41 -31.64 68.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.72 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.69 -49.45 39.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.711 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -28.94 66.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.739 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -75.63 -30.44 59.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.767 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.57 -30.94 67.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.059 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -68.95 -31.62 70.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -138.35 79.2 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.318 -1.268 . . . . 0.0 112.493 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . 0.402 ' O ' ' CE1' ' C' ' 328' ' ' PHE . 5.6 mp0 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.833 0.349 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -91.64 152.93 20.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.402 ' CE1' ' O ' ' C' ' 326' ' ' GLU . 26.0 m-85 -140.35 104.39 4.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.42 124.31 27.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.7 tp -118.2 103.88 10.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -86.91 83.99 7.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -89.22 143.55 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.406 ' HG2' ' CD1' ' D' ' 327' ' ' TYR . 38.5 mtm180 -101.04 37.59 1.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -138.91 135.32 7.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.33 -43.88 39.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.28 -41.3 66.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.436 ' HG3' ' CZ ' ' C' ' 341' ' ' PHE . 8.1 ttp180 -59.64 -52.7 64.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.616 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -62.4 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.013 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -31.89 67.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.383 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.27 -60.24 2.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.208 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.436 ' CZ ' ' HG3' ' C' ' 337' ' ' ARG . 3.3 m-85 -62.42 -28.61 69.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -71.68 -34.78 69.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.956 0.408 . . . . 0.0 110.286 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -80.9 -31.38 35.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.245 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.93 -29.39 55.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.543 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -76.91 -41.31 44.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.7 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.84 -31.03 61.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.672 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.36 -30.79 48.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.967 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 6.8 mt -76.64 -31.41 57.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.74 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -72.99 -29.87 63.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -70.1 -37.63 75.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -62.79 -32.11 73.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -71.83 -32.18 67.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.86 -37.11 78.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -67.37 -36.04 80.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -106.54 81.52 1.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.499 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.801 0.334 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.406 ' CD1' ' HG2' ' C' ' 333' ' ' ARG . 20.7 m-85 -105.83 152.83 22.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -147.04 98.23 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.39 139.37 49.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 28.7 tp -131.74 110.3 10.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -96.85 90.16 5.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -91.26 140.54 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.77 33.42 2.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.01 125.6 4.34 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -75.04 -34.52 61.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.349 . . . . 0.0 110.934 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -75.65 -53.64 8.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttm105 -55.74 -41.74 74.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.72 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -62.12 -47.08 86.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.382 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -54.4 -35.14 62.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.681 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.9 ttp -65.5 -58.32 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.313 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.422 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 4.9 m-85 -59.24 -30.9 68.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.809 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.33 -39.4 89.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.093 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -76.86 -29.39 55.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.062 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.36 -39.35 62.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.535 179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -69.5 -39.19 77.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.765 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.06 -30.61 62.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.05 -29.79 58.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 13.9 mt -75.06 -39.01 61.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.789 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.42 -27.24 65.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.65 -41.1 69.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -30.17 68.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -70.71 -31.8 68.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.24 -32.31 73.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -62.96 -35.4 80.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.33 97.91 9.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.399 -1.223 . . . . 0.0 112.47 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.804 0.335 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -158.31 153.06 24.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -143.57 92.89 2.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 2.9 m -60.87 150.42 33.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.407 HD12 ' CE2' ' B' ' 338' ' ' PHE . 15.2 tp -144.18 107.98 4.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -89.79 83.94 6.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -86.63 130.22 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -98.76 32.61 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -134.63 109.66 0.8 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.518 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -60.25 -31.65 70.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.328 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -75.99 -54.08 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.5 ttm105 -56.32 -38.1 70.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.715 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.4 ' CE1' HD11 ' B' ' 330' ' ' LEU . 12.9 t80 -64.16 -48.61 75.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.329 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -54.43 -32.97 58.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.612 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 3.2 mtp -66.72 -58.7 4.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.285 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.425 ' HB3' ' CG ' ' B' ' 341' ' ' PHE . 3.2 m-85 -60.55 -30.14 69.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.796 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -68.64 -37.14 79.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.219 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -79.12 -30.97 44.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.214 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 1.6 mp -75.78 -32.27 59.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.46 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -73.25 -41.58 63.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.626 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -36.79 68.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.625 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.7 -31.27 64.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.789 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 1.5 mt -70.68 -37.27 73.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.584 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.21 -26.43 47.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.516 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 9.9 tp -78.34 -31.37 48.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.816 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -33.38 65.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.82 -31.56 70.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.46 -43.87 68.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -79.56 -35.01 40.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -63.59 178.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.356 -1.247 . . . . 0.0 112.495 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.831 0.348 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -118.08 119.89 36.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -102.32 103.63 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.17 152.81 32.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.4 HD11 ' CE1' ' A' ' 338' ' ' PHE . 13.7 tp -154.2 98.49 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -89.15 108.95 19.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 28.0 mm -103.47 137.76 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -98.77 30.65 3.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.04 128.73 5.37 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.505 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -70.36 -47.74 59.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.53 -44.52 62.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.432 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 1.0 OUTLIER -58.71 -51.36 70.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.618 179.783 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.407 ' CE2' HD12 ' A' ' 330' ' ' LEU . 7.3 t80 -62.41 -43.76 98.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.0 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -57.31 -32.08 66.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.366 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 5.8 ttm -67.12 -60.97 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.159 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.432 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 5.4 m-85 -59.96 -27.28 66.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -68.82 -34.88 76.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.925 0.393 . . . . 0.0 110.218 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -79.29 -31.96 43.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.319 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.29 -32.0 60.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.484 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -73.58 -41.39 62.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.666 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -72.27 -31.15 65.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.709 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.56 -31.12 63.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.945 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.57 -41.9 65.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.87 -30.97 70.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 mt -69.62 -35.93 75.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -63.37 -32.93 74.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -66.97 -36.34 81.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.74 -35.74 78.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -68.61 -35.28 77.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -66.77 86.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.045 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.467 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.795 0.331 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 60.06 101.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -117.4 102.31 9.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.82 134.79 50.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 17.6 tp -130.99 109.54 10.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -86.31 100.46 12.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -102.57 141.7 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -98.87 34.67 2.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.69 123.53 3.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.61 -64.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -60.33 -38.39 83.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.451 ' HG3' ' CZ ' ' C' ' 341' ' ' PHE . 3.0 tpt180 -59.23 -51.39 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.718 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.41 ' CE1' HD12 ' D' ' 330' ' ' LEU . 9.7 t80 -60.81 -46.55 90.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.131 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -55.85 -32.41 63.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.393 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 30.5 ttm -66.03 -60.18 3.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.199 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.451 ' CZ ' ' HG3' ' C' ' 337' ' ' ARG . 5.1 m-85 -60.48 -31.26 70.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.799 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -35.03 77.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.981 0.42 . . . . 0.0 110.122 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -79.26 -30.7 43.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.134 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.08 -32.19 64.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.494 179.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -73.76 -46.47 45.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.585 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.92 -29.24 65.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.606 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.29 -32.85 61.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.008 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.09 -37.42 69.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.749 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.58 -30.25 70.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -37.68 88.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -60.01 -38.96 84.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.87 -40.58 97.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.83 -33.66 76.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.065 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -79.6 -46.72 16.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . 59.55 79.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.422 -1.21 . . . . 0.0 112.473 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.842 0.354 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -136.58 144.07 43.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -137.34 118.49 14.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 1.8 m -82.25 116.33 21.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.41 HD12 ' CE1' ' C' ' 338' ' ' PHE . 20.1 tp -106.03 112.34 25.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -90.87 84.08 5.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -86.92 119.82 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -85.58 76.49 10.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 177.19 140.24 3.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.459 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -76.3 -51.08 12.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -68.0 -39.23 83.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.441 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 3.9 tpp180 -60.36 -53.22 60.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.624 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -60.47 -42.88 97.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.167 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -56.93 -34.26 67.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.494 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.3 ttp -66.6 -59.95 3.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.219 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.441 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 3.6 m-85 -60.77 -27.85 68.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.676 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -67.5 -33.69 75.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.106 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.93 -35.28 59.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.394 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 7.1 mt -71.83 -36.59 70.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.495 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -67.24 -40.36 86.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.448 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -68.46 -45.91 71.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.582 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.42 -28.62 68.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.7 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 10.6 tp -68.73 -39.43 80.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.77 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -61.79 -33.79 74.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.38 -32.66 70.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.803 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.72 -32.26 73.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.33 -32.23 73.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.74 -30.91 46.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -84.57 -31.5 24.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.64 -54.2 9.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.352 -1.249 . . . . 0.0 112.49 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.759 0.314 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -131.9 152.52 51.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -147.42 91.27 1.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.97 138.15 49.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 17.9 tp -138.43 114.27 9.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -96.13 84.91 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -82.53 136.85 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -98.42 35.04 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -134.25 122.43 2.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -65.78 -44.08 86.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -72.4 -42.77 64.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -57.65 -48.44 79.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.701 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -59.16 -46.77 87.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.436 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -55.27 -33.51 63.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.672 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.3 ttp -67.17 -58.33 5.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.368 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.473 ' CD2' ' CD1' ' B' ' 341' ' ' PHE . 2.8 m-85 -61.68 -28.69 69.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.759 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttt-85 -69.06 -34.58 75.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.261 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -79.78 -32.81 40.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.325 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 1.2 mt -75.31 -29.55 60.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.508 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -75.42 -42.44 53.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.709 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -32.14 66.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.706 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.34 -30.46 60.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.013 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 9.1 mt -74.38 -35.52 63.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -71.44 -28.67 64.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.78 -42.45 60.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -68.19 -30.59 69.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.81 -31.9 70.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -79.41 -30.95 42.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.075 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -87.02 -31.31 20.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -101.11 108.89 20.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.498 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.824 0.345 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -95.75 152.83 18.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -136.55 103.12 5.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.61 106.18 5.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 21.3 tp -104.02 97.64 7.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -77.71 96.73 4.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -101.12 150.13 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -110.22 42.39 1.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.93 120.68 1.76 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.85 -34.64 60.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -71.43 -58.61 3.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -54.77 -45.21 74.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.788 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -59.94 -39.37 85.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.323 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.03 -41.91 79.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.663 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.1 ttp -62.09 -55.5 28.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.437 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.473 ' CD1' ' CD2' ' A' ' 341' ' ' PHE . 3.8 m-85 -58.85 -31.57 68.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.838 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -64.12 -36.5 84.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.268 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -78.84 -31.87 45.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.299 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 2.2 mp -75.79 -31.26 59.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.539 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -74.09 -40.74 62.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.706 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -72.83 -35.22 67.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.2 -29.79 54.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 15.4 mt -79.69 -24.49 41.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.8 -34.77 33.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.9 pp -78.11 -30.33 49.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.92 -29.15 39.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.785 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -78.02 -30.67 50.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.11 -31.23 61.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -77.53 -31.68 53.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -91.24 164.7 13.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.483 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . 0.417 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.788 0.328 . . . . 0.0 111.203 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.408 ' CE1' ' HG3' ' D' ' 333' ' ' ARG . 24.7 m-85 -105.63 113.96 27.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.417 ' CZ ' ' HB3' ' C' ' 326' ' ' GLU . 23.8 m-85 -105.55 117.59 34.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.6 m -83.86 130.89 34.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 27.7 tp -130.36 101.7 5.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.419 ' HG2' ' CD1' ' D' ' 327' ' ' TYR . 2.1 tt0 -85.62 90.11 7.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.4 mt -87.06 153.14 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.057 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.2 37.51 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.48 126.68 4.41 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.31 -40.26 58.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -73.65 -50.08 22.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 mtm105 -57.07 -41.7 79.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.738 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -61.38 -47.3 86.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.421 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.48 -34.77 62.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.713 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 3.4 ttp -66.52 -58.34 5.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.326 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.419 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 2.7 m-85 -62.38 -29.82 70.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.666 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -69.2 -33.43 73.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.191 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -78.9 -32.64 45.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.344 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.93 -34.92 59.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.495 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -71.63 -37.23 70.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.426 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.1 -43.3 65.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.592 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.0 -28.57 65.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.672 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 6.1 tp -71.29 -36.96 71.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.725 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -65.37 -31.5 72.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.19 -31.69 64.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -69.12 -31.45 70.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.3 -31.53 72.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.37 -30.75 62.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.52 -40.42 29.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -77.09 -34.84 56.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.352 -1.249 . . . . 0.0 112.471 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . 0.411 ' HB3' ' CE1' ' D' ' 328' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.834 0.35 . . . . 0.0 111.193 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.419 ' CD1' ' HG2' ' C' ' 331' ' ' GLN . 0.0 OUTLIER -106.26 138.24 42.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.411 ' CE1' ' HB3' ' D' ' 326' ' ' GLU . 48.4 m-85 -140.34 140.57 35.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.31 121.21 44.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.9 tp -124.48 120.54 32.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -93.48 111.94 23.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -102.95 124.54 57.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.408 ' HG3' ' CE1' ' C' ' 327' ' ' TYR . 21.3 ttp180 -97.76 74.52 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.52 138.05 2.55 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 8.5 ttp85 -72.78 -47.9 42.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -70.71 -40.63 72.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.442 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 2.0 tpp180 -59.12 -51.43 70.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.668 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -60.33 -45.05 94.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.172 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.17 -32.76 64.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.455 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.4 ttm -67.02 -60.85 2.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.138 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.442 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 4.6 m-85 -60.62 -28.16 68.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.745 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -69.33 -36.6 77.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.01 0.433 . . . . 0.0 110.13 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -77.82 -32.27 52.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.294 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.9 mp -73.66 -31.16 63.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.501 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -72.9 -44.15 61.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.71 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -70.6 -33.79 71.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.742 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.85 -33.43 62.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.38 -31.73 67.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.67 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -66.82 -31.68 72.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.5 mt -73.17 -39.23 65.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -68.11 -31.26 70.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -67.81 -31.61 71.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.13 72.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -89.87 -32.08 17.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.27 132.65 54.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.35 -1.25 . . . . 0.0 112.489 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 24.2 mt-10 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.814 0.34 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.416 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 29.5 m-85 -89.88 147.27 23.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 326' ' ' GLU . 13.7 m-85 -137.04 110.94 8.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 2.6 m -90.73 141.72 28.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 21.1 tp -137.64 108.39 6.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -79.87 84.14 5.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 5.0 mt -86.76 123.7 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -91.25 75.32 6.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -166.22 128.65 1.79 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -74.31 -46.32 41.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.807 0.337 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -74.68 -45.83 41.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.41 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 4.3 ttm180 -57.17 -47.99 79.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.737 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -60.04 -45.93 91.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.355 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -55.38 -34.34 64.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.573 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.33 -58.88 4.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.207 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.41 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.3 m-85 -59.2 -29.52 67.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.644 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -64.99 -39.91 94.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.947 0.403 . . . . 0.0 110.153 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -75.52 -33.52 60.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.287 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 86.6 mt -72.22 -29.14 63.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.407 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.18 -46.8 54.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.668 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -70.19 -31.18 68.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.781 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.97 -34.01 51.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.038 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 13.1 mt -77.74 -30.21 51.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.767 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -77.57 -29.88 52.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 10.0 mt -74.31 -31.71 62.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -69.57 -31.02 68.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.95 -31.62 63.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.25 -40.05 62.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -30.66 51.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -88.13 -46.74 9.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.382 -1.232 . . . . 0.0 112.506 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.819 0.342 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 60.55 111.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.414 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 4.3 m-85 -129.53 140.74 51.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.3 149.33 24.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.7 tp -132.11 90.16 2.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -84.95 96.26 9.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -112.62 144.79 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.416 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -98.12 35.6 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.07 126.78 4.93 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -73.44 -35.45 65.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.792 0.33 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -73.43 -46.89 45.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -47.07 81.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.679 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -59.15 -46.46 88.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.382 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -54.23 -35.18 62.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.62 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.8 ttm -65.96 -59.31 3.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.216 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -61.05 -29.75 69.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.769 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -36.78 78.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.931 0.396 . . . . 0.0 110.078 179.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -80.01 -30.6 39.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.201 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 11.1 mt -76.94 -30.01 55.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.588 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -76.37 -40.58 50.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.659 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -74.3 -31.96 62.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.724 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.38 -31.11 54.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.953 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.55 -32.2 60.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.694 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -74.08 -29.19 61.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.754 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.55 -36.53 73.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -66.44 -31.94 73.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -64.87 -31.89 73.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.86 -34.11 68.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.069 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -69.5 -34.28 74.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -102.54 167.62 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.514 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.841 0.353 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 61.76 115.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -134.36 129.84 36.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.93 101.12 11.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 5.8 tp -83.69 109.35 17.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -108.11 124.85 50.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -130.77 153.57 39.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ptt-85 -98.56 32.15 2.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.93 124.27 3.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.511 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -69.18 -33.64 73.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.737 0.304 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -76.27 -51.52 11.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -55.95 -43.8 77.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.67 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -61.58 -47.54 85.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.347 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -54.84 -33.5 61.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.662 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttm -66.58 -58.39 5.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.318 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.431 ' CD2' ' CD2' ' D' ' 341' ' ' PHE . 3.7 m-85 -60.45 -30.12 69.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.803 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -36.81 81.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.183 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -79.11 -31.1 44.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.201 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.76 -32.55 60.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.477 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -73.36 -40.88 64.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.707 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -72.08 -35.32 69.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.708 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.61 -33.36 62.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 1.7 mt -72.94 -30.18 63.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.71 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -69.12 -29.82 67.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.2 mp -64.82 -41.88 95.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -61.49 -30.92 70.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.85 -32.5 69.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.37 -33.51 65.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -75.75 -34.6 60.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -80.01 85.46 5.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.509 -179.953 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.787 0.327 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 60.21 110.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.403 ' CD2' ' N ' ' D' ' 328' ' ' PHE . 6.9 m-85 -107.24 124.65 50.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 1.3 m -92.8 137.0 32.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -130.6 97.12 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -67.86 117.86 10.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 30.6 mt -136.86 132.49 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -95.55 42.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -126.77 109.77 1.15 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -60.9 -48.87 79.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.852 0.358 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -68.33 -41.36 80.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -58.29 -45.61 87.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.769 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -59.33 -48.16 82.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -54.29 -33.75 59.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.631 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.3 mmm -66.61 -58.88 4.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.317 179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.431 ' CD2' ' CD2' ' C' ' 341' ' ' PHE . 3.3 m-85 -61.54 -29.75 70.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.777 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -70.17 -37.85 75.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.981 0.42 . . . . 0.0 110.17 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -78.81 -32.11 46.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.205 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.06 -28.7 60.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.504 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -75.25 -43.96 48.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.665 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -72.71 -32.08 65.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.709 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.94 -30.07 50.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.988 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 7.9 mt -76.99 -29.18 55.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -74.4 -31.32 62.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 11.6 mt -74.49 -43.75 54.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.802 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -28.62 64.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.811 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -75.32 -31.04 60.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.845 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.32 -30.95 68.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -68.5 -40.13 81.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -125.91 126.75 44.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.087 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.493 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.792 0.329 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.42 ' CE2' ' HB2' ' B' ' 333' ' ' ARG . 23.3 m-85 -96.76 152.94 18.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -129.57 122.55 29.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.24 140.69 34.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.1 tp -137.39 114.19 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -86.54 89.03 7.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 5.0 mt -94.77 130.17 43.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.013 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -95.07 43.97 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -129.4 120.67 3.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -70.0 -48.62 57.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.83 0.348 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -71.6 -48.77 45.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -56.65 -40.72 75.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.752 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -61.45 -49.07 78.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.449 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.02 -33.65 57.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.71 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.4 ttp -66.73 -57.95 6.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.388 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.69 -30.41 69.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.758 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -69.19 -42.16 76.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.083 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -73.98 -31.07 62.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.027 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.78 -40.42 69.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.38 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -64.07 -41.03 97.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.641 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -67.99 -32.5 72.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.764 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.22 -39.06 78.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.985 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.66 -40.14 92.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.738 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -62.29 -30.55 71.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.87 -49.47 61.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -31.12 72.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.71 -33.39 62.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.86 -32.02 51.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.82 -31.36 17.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -103.23 91.76 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.48 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.842 0.353 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 60.67 110.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.427 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 5.8 m-85 -116.24 100.22 7.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.4 m -70.56 151.24 45.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 26.0 tp -147.53 108.51 4.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -96.41 102.71 14.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 5.1 mt -110.73 141.61 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.42 ' HB2' ' CE2' ' A' ' 327' ' ' TYR . 10.0 ttt-85 -97.77 37.89 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.09 119.92 2.63 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -69.17 -36.29 77.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.32 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -75.59 -50.88 14.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -56.38 -43.85 79.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.669 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -61.5 -46.66 89.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.385 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -55.35 -33.96 63.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.64 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 22.9 ttm -66.51 -58.02 6.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.348 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -61.6 -30.34 70.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.685 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.42 -35.2 77.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.985 0.422 . . . . 0.0 110.243 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -80.14 -31.48 39.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.313 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 1.9 mt -76.1 -29.92 58.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.571 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -75.94 -41.96 50.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.608 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -73.11 -31.96 64.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.734 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.23 -31.07 58.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.974 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -74.26 -34.23 63.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.747 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -69.29 -33.43 73.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -72.66 -45.68 57.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.772 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -72.5 -29.15 63.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.788 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -79.26 -29.69 42.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.33 -30.82 54.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -87.07 -35.05 18.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -104.44 78.92 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.48 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.813 0.34 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 61.04 112.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -127.21 97.12 4.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.39 95.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.41 HD13 ' CE1' ' D' ' 338' ' ' PHE . 6.7 tt -89.68 115.21 26.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -91.94 133.24 35.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -125.93 133.17 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 48.2 ttp85 -98.31 33.79 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.24 129.59 4.11 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -68.6 -39.69 80.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.788 0.328 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -74.02 -49.71 23.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.3 mtm105 -56.64 -42.6 79.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.765 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -61.37 -47.66 84.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.451 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -54.87 -33.38 61.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.547 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.6 ttm -66.51 -59.1 3.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.278 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -60.92 -30.48 70.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.724 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.9 ttt-85 -67.74 -33.91 75.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.996 0.427 . . . . 0.0 110.116 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.49 -31.7 42.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.233 179.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.2 mt -74.96 -33.18 61.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.495 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.3 -41.19 63.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.59 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.2 -36.28 71.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.693 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.81 -32.08 69.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 13.4 mt -69.19 -41.08 77.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.597 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -74.4 -25.22 59.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.571 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 8.8 tp -78.51 -37.69 42.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.91 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -73.56 -30.54 63.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.71 -30.99 61.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.92 -30.73 50.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -88.78 -34.84 16.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.03 -33.41 71.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.1 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.471 179.953 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.813 0.34 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 63.44 137.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -152.05 127.3 9.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.04 125.58 44.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 6.4 tp -130.96 99.26 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -61.2 124.98 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -127.25 116.4 43.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.092 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -83.46 78.82 9.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.97 136.63 3.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.58 -64.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -60.59 -38.71 85.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.442 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -59.85 -52.16 66.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.691 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.41 ' CE1' HD13 ' C' ' 330' ' ' LEU . 8.0 t80 -61.37 -44.53 97.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.134 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -57.16 -32.42 66.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.382 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.6 mtp -67.08 -61.09 2.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.115 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.442 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 3.0 m-85 -61.93 -28.08 69.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.796 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -73.97 -40.08 63.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.969 0.414 . . . . 0.0 110.065 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -75.88 -30.87 58.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.225 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.59 -31.19 65.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.58 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -73.04 -45.96 54.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.718 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.76 -30.72 67.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.734 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.64 -33.19 58.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.14 -31.11 64.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.737 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -69.86 -29.87 67.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 11.4 mt -69.33 -43.91 72.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -61.63 -35.14 77.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.94 -33.9 70.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.45 -31.53 69.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -89.76 -32.11 17.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -92.48 131.49 37.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.401 -1.222 . . . . 0.0 112.524 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.891 0.377 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -72.97 153.09 41.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -137.57 101.8 4.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.08 152.33 39.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.9 tp -156.92 116.95 3.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -92.77 83.25 4.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -74.76 128.69 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.65 34.06 2.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.93 107.02 0.64 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.9 ttm-85 -59.27 -31.66 69.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 111.033 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.67 -60.81 2.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ptp85 -55.82 -40.82 73.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -63.64 -39.25 93.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.304 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -57.4 -41.26 79.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.577 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.5 ttm -62.37 -55.76 24.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.418 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.431 ' CG ' ' HB3' ' B' ' 341' ' ' PHE . 3.9 m-85 -58.98 -31.34 68.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.697 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -63.4 -37.3 86.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.261 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -78.35 -32.13 48.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.363 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 2.7 mp -76.65 -29.54 56.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.639 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -75.4 -39.6 58.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.745 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -75.09 -31.35 61.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.772 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.33 -30.76 48.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.026 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 4.7 mt -77.39 -30.78 53.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.766 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -74.14 -30.48 62.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.807 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.8 mt -69.96 -34.89 73.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -63.83 -31.45 72.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -72.06 -33.69 68.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.65 -32.35 72.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -90.37 -35.08 15.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . 60.59 91.13 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.357 -1.246 . . . . 0.0 112.439 179.948 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.835 0.35 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 63.25 142.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -153.09 124.47 7.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.5 m -94.56 147.63 23.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.5 tp -148.29 151.69 35.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -139.06 109.07 6.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -110.33 151.38 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -106.16 34.57 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.13 131.92 6.61 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 -71.93 -52.31 17.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -64.97 -38.79 92.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.435 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 13.3 ttp180 -59.56 -52.39 65.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -61.11 -45.28 95.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.089 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -56.79 -31.91 65.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.409 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.4 ttm -67.24 -60.3 2.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.22 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.435 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 2.2 m-85 -61.42 -28.29 69.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.797 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -72.03 -37.29 69.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.949 0.404 . . . . 0.0 110.408 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.87 -32.12 51.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.32 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.06 -31.36 61.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.584 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -73.53 -41.62 62.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.61 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -70.42 -36.58 74.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.709 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.93 -31.34 67.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mt -70.76 -38.94 73.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.703 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -65.15 -31.32 72.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.79 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.04 -38.03 87.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.75 -34.45 72.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.65 -32.68 71.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.75 -30.88 45.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -84.89 -31.26 23.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.63 -31.04 68.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.555 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.768 0.318 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 61.05 113.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -139.31 98.85 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.3 m -63.53 139.82 58.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 16.5 tp -151.67 117.99 5.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.72 100.23 9.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.3 mt -98.36 137.37 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -79.67 -29.56 40.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.969 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -61.77 118.31 14.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.526 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -76.19 -39.5 54.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -68.0 -53.36 26.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -56.65 -46.92 80.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.751 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.411 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 4.1 t80 -59.24 -39.84 84.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.426 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -56.96 -41.12 77.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.642 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.2 mtm -62.94 -55.97 21.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.371 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -58.83 -30.13 67.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.735 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -63.99 -38.93 92.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.242 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -76.06 -33.69 59.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.346 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 2.5 mp -73.63 -28.75 61.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.529 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -73.52 -43.65 59.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.72 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -72.68 -32.18 65.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.749 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.84 -30.61 51.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.975 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 8.9 mt -76.66 -29.67 56.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.827 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -73.77 -31.63 63.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 9.1 mt -69.93 -38.32 76.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -67.24 -41.9 84.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.838 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.21 -31.59 72.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.92 -31.39 61.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -80.45 -38.88 29.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.62 -33.45 72.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.503 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.841 0.353 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 62.63 147.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.411 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 23.8 m-85 -153.66 104.51 2.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.75 117.96 10.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 6.6 tp -126.57 119.9 28.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -100.94 106.19 17.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mp -97.67 132.31 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -98.39 33.49 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -137.91 140.99 11.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 48.4 ttt-85 -74.62 -63.0 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.953 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.11 -35.39 73.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.452 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 0.1 OUTLIER -61.2 -53.95 50.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.658 179.833 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -61.97 -43.72 98.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.009 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -32.05 66.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.381 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.3 mtp -67.08 -60.19 2.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.218 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.452 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 4.0 m-85 -60.62 -28.47 68.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.734 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -68.2 -38.02 81.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.195 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -77.06 -32.4 56.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.277 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.15 -30.32 63.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.49 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.82 -45.66 57.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.624 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -68.98 -32.74 72.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.769 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.46 -31.08 65.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.961 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 17.0 mt -71.46 -40.02 70.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.74 -31.98 73.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -67.29 -42.3 83.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -60.38 -35.93 76.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -66.57 -34.6 78.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.28 -30.95 54.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -85.39 -32.31 22.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -62.91 145.65 54.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.056 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.474 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.831 0.348 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.407 ' CE1' ' HG3' ' B' ' 333' ' ' ARG . 12.8 m-85 61.26 113.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -135.75 117.28 14.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 2.0 m -81.78 135.97 35.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 20.3 tp -137.53 107.56 6.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -73.12 93.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.418 HD11 ' CD1' ' A' ' 341' ' ' PHE . 27.1 mm -75.03 111.17 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.412 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 2.0 ttt180 -91.74 76.54 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.62 124.79 0.75 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 3.0 ptt-85 -60.19 -45.18 94.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -74.39 -44.65 51.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.421 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -57.48 -47.86 80.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.767 179.852 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.418 ' CE1' HD13 ' B' ' 330' ' ' LEU . 10.2 t80 -60.15 -46.36 89.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.355 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -55.33 -33.79 63.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.595 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.1 ttp -66.36 -59.04 4.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.285 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.424 ' HB3' ' CG ' ' B' ' 341' ' ' PHE . 3.1 m-85 -63.14 -29.97 71.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.781 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -72.51 -33.66 67.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 0.0 110.202 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -81.25 -31.34 33.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.293 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 37.2 mt -77.34 -30.52 53.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.537 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -76.74 -39.67 51.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.533 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -70.59 -31.73 68.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.683 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . 0.4 ' CB ' ' CE ' ' D' ' 351' ' ' LYS . . . -72.61 -39.49 67.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mt -67.73 -33.38 74.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.674 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -65.47 -29.98 70.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.799 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.29 -50.52 59.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.66 -30.24 68.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -75.97 -31.11 58.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.17 -37.22 54.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -83.75 -29.52 27.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.41 -30.67 68.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.503 179.962 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.825 0.345 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.412 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 54.3 m-85 -131.67 150.95 51.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -144.71 102.35 3.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.89 125.79 28.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.418 HD13 ' CE1' ' A' ' 338' ' ' PHE . 2.2 tt -128.29 106.38 8.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -83.22 115.1 21.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -108.49 145.78 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.407 ' HG3' ' CE1' ' A' ' 327' ' ' TYR . 0.2 OUTLIER -99.17 36.11 1.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -144.3 127.12 2.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -31.4 66.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -74.15 -47.72 34.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.67 -47.93 78.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.771 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -59.42 -44.91 92.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.464 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -55.56 -36.45 66.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.61 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -66.65 -58.79 4.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.19 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.424 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 3.9 m-85 -61.5 -27.92 68.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.749 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 6.8 ttt85 -69.25 -35.85 76.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.934 0.397 . . . . 0.0 110.117 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -79.13 -31.44 44.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.196 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.02 -31.93 64.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.439 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.87 -46.81 50.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.646 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -71.75 -30.89 66.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.732 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.26 -30.2 54.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.992 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.99 -32.74 61.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.793 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -70.06 -31.26 68.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.2 mt -67.97 -37.88 82.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.802 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -31.57 70.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.791 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.29 -34.89 74.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.64 -30.89 57.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -80.56 -31.54 36.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -116.5 -172.1 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.401 -1.221 . . . . 0.0 112.477 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.804 0.335 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.41 ' CZ ' ' HD2' ' D' ' 333' ' ' ARG . 11.7 m-85 -86.29 152.65 22.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.417 ' HB3' ' CD1' ' D' ' 338' ' ' PHE . 66.6 m-85 -150.03 91.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.56 152.83 44.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 5.4 tp -156.36 104.82 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -96.81 125.3 41.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -127.5 149.41 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.64 33.21 2.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -126.11 138.38 10.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -76.09 -66.14 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.33 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -59.74 -38.37 81.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.453 ' HG3' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -60.11 -53.15 61.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.558 179.761 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.45 ' CD2' ' CB ' ' D' ' 328' ' ' PHE . 8.3 t80 -62.11 -45.3 94.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.897 179.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -56.64 -31.38 64.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.272 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 3.7 ttm -67.32 -61.78 1.75 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.099 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.453 ' CZ ' ' HG3' ' C' ' 337' ' ' ARG . 2.1 m-85 -61.05 -28.06 68.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.804 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -76.41 -41.96 45.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.225 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -75.74 -29.98 59.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.189 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.0 -33.93 63.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.562 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -73.23 -43.43 61.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.757 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -74.65 -31.07 61.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.68 -30.71 41.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 15.8 mt -78.13 -28.97 48.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.799 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.7 -30.53 61.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.739 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.5 mt -68.89 -33.83 74.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.786 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -62.91 -33.84 76.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.54 -33.19 74.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.86 -31.07 51.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -83.05 -31.59 27.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -62.15 87.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.495 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.794 0.33 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -130.84 152.92 49.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.45 ' CB ' ' CD2' ' C' ' 338' ' ' PHE . 7.2 m-85 -137.99 123.0 19.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.15 142.17 30.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 17.6 tp -139.72 119.75 13.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.64 93.7 5.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -98.51 136.53 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.41 ' HD2' ' CZ ' ' C' ' 327' ' ' TYR . 23.2 mtp180 -95.92 69.92 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -165.36 133.26 2.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.485 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 12.4 ptt-85 -76.46 -38.25 55.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.772 0.32 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -76.86 -43.26 36.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.435 ' HG3' ' CE2' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -59.02 -51.4 70.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.678 179.826 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.417 ' CD1' ' HB3' ' C' ' 328' ' ' PHE . 7.1 t80 -60.62 -43.17 97.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.224 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -56.62 -34.15 66.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.465 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.5 ttp -66.95 -60.74 2.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.163 179.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.435 ' CE2' ' HG3' ' D' ' 337' ' ' ARG . 3.4 m-85 -61.48 -27.41 68.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.703 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -33.01 72.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.107 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -77.11 -33.6 56.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.359 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 73.9 mt -72.3 -36.01 68.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.544 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -68.91 -41.56 78.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.536 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -66.4 -41.03 89.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.685 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.85 -17.27 60.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.143 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.405 ' HA ' ' HG2' ' D' ' 351' ' ' LYS . 4.3 tp -84.88 -27.38 26.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.836 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -77.66 -29.04 51.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.268 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 pp -77.35 -34.35 55.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.741 0.305 . . . . 0.0 111.072 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.405 ' HG2' ' HA ' ' D' ' 348' ' ' LEU . 0.8 OUTLIER -74.44 -29.73 61.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.781 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -71.56 -31.14 66.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.58 -31.37 70.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -83.98 -44.69 13.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . 60.39 101.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.525 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . 0.4 ' O ' ' CZ ' ' A' ' 328' ' ' PHE . 1.7 mm-40 . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.862 0.363 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -61.14 150.2 34.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.413 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 31.7 m-85 -132.7 94.55 3.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 18.3 m -79.6 105.33 10.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 21.8 tp -99.67 111.1 23.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -90.31 83.78 5.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -78.42 144.72 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -98.68 32.36 2.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.33 114.2 1.5 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -59.73 -46.72 88.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -70.38 -41.82 72.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -58.18 -45.32 87.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.75 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -59.97 -48.89 79.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.468 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -54.28 -32.92 57.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.55 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.5 ttm -66.87 -59.14 3.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.273 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.418 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 3.8 m-85 -59.62 -28.71 67.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.814 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -37.41 83.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.191 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -77.93 -31.93 51.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.311 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . 0.4 ' CD2' ' CD2' ' D' ' 344' ' ' LEU . 2.6 mp -75.44 -30.76 60.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.61 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -74.34 -40.61 62.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.766 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -73.01 -34.12 66.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.773 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.64 -32.78 58.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.4 mt -74.78 -28.23 60.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.704 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -71.46 -29.47 64.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.767 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.56 -48.18 50.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -67.58 -30.29 69.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -73.06 -31.23 64.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.67 -31.1 69.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -89.87 -34.9 15.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -96.63 -170.65 2.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.066 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.466 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.847 0.356 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -101.64 153.12 20.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -145.54 135.22 23.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.45 114.05 28.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.98 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.7 tp -107.07 97.29 7.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -77.7 102.2 6.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -113.32 141.5 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.065 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -99.63 36.74 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -127.4 120.98 3.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -71.44 -36.19 71.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -76.35 -51.25 12.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 mtm105 -56.34 -43.3 78.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.693 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.413 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 11.8 t80 -62.04 -47.47 84.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.374 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -55.27 -32.61 62.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.561 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.4 ttm -66.88 -59.09 3.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.254 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.418 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 4.3 m-85 -60.59 -30.53 69.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.775 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -68.01 -34.14 75.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.974 0.416 . . . . 0.0 110.105 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -81.3 -31.49 33.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.201 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 1.8 mp -77.14 -32.3 56.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.444 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -77.27 -40.31 45.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.523 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.78 -29.76 61.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.583 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.96 -31.94 59.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.939 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 13.3 mt -74.3 -37.95 63.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.736 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -72.38 -30.23 64.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.754 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -32.34 68.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -66.22 -31.61 72.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -68.06 -32.99 73.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.72 -31.25 72.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -116.1 31.01 6.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -158.0 31.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.378 -1.235 . . . . 0.0 112.468 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.848 0.356 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 60.82 111.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.42 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 21.1 m-85 -121.94 125.78 47.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 8.0 m -82.15 105.23 13.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 14.3 tp -106.59 116.09 31.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.33 92.94 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 24.0 mm -81.88 119.44 31.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -98.42 30.61 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -137.0 119.96 2.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.435 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -59.89 -44.75 94.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.768 0.318 . . . . 0.0 110.935 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.88 -43.26 62.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.42 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 4.4 ttm180 -57.25 -47.64 80.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.743 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.417 ' CE2' HD12 ' D' ' 330' ' ' LEU . 12.3 t80 -59.63 -48.05 83.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.337 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -32.99 59.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.649 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.7 ttm -66.75 -58.71 4.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.354 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.42 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.6 m-85 -61.27 -29.8 70.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.859 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -36.48 75.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.968 0.413 . . . . 0.0 110.154 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -79.89 -30.91 40.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.248 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.55 -29.86 56.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.515 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -76.17 -41.47 49.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.723 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.27 -32.03 62.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.704 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.82 -31.03 51.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 14.8 mt -75.76 -30.96 59.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.745 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -71.24 -30.53 66.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.22 -43.21 74.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -62.27 -31.01 71.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.98 -31.51 68.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.5 -41.7 62.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.48 -31.53 37.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -83.53 -69.55 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.457 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.8 0.333 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 61.37 113.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -134.32 95.27 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.4 104.54 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.417 HD12 ' CE2' ' C' ' 338' ' ' PHE . 32.3 tp -108.26 122.63 47.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.12 83.12 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.801 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -81.8 142.75 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -104.99 -174.42 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 63.48 122.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 7.5 tpt85 -64.16 -30.12 71.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.73 0.3 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -74.19 -56.21 5.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.421 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 1.2 ttm180 -55.5 -42.01 73.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.717 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.42 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 9.1 t80 -63.06 -45.34 92.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.323 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.65 -34.25 64.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.597 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttm -66.67 -58.73 4.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.265 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.421 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 2.9 m-85 -63.42 -29.61 70.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.681 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.403 ' HG3' ' CE1' ' D' ' 338' ' ' PHE . 2.3 tmt_? -71.29 -33.98 70.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.97 0.414 . . . . 0.0 110.168 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -81.95 -31.2 31.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.235 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . 0.4 ' CD2' ' CD2' ' A' ' 344' ' ' LEU . 12.0 mt -78.35 -29.32 47.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.569 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -78.58 -38.75 39.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.682 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -76.1 -30.25 58.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.638 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.11 -31.53 50.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.27 -33.4 59.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.701 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -75.91 -26.48 57.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.715 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.18 -37.68 61.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -68.76 -31.49 70.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.4 -31.17 68.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.06 -31.26 69.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -117.33 29.81 7.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.46 79.45 8.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.038 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.311 -1.272 . . . . 0.0 112.478 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.826 0.346 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 60.12 101.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.429 ' N ' ' CD1' ' A' ' 328' ' ' PHE . 4.2 m-85 -110.92 127.59 55.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 3.8 m -82.23 144.67 30.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 18.2 tp -147.84 103.47 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -83.91 87.28 7.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -89.21 142.87 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -106.11 77.55 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.33 125.77 1.07 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -74.17 -34.78 63.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.763 0.316 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -75.25 -52.63 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.4 ttm105 -56.45 -39.33 72.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.732 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.408 ' CE1' ' HG3' ' A' ' 342' ' ' ARG . 12.1 t80 -63.31 -48.49 77.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.319 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -53.98 -34.49 59.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.638 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttm -65.49 -58.38 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.251 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.501 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 3.6 m-85 -60.44 -31.93 70.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.408 ' HG3' ' CE1' ' A' ' 338' ' ' PHE . 0.2 OUTLIER -68.81 -36.22 77.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.963 0.411 . . . . 0.0 110.233 179.491 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -80.27 -29.93 38.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.32 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 1.3 mp -78.47 -32.59 48.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.566 179.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -78.55 -37.87 41.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.601 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -77.57 -28.77 51.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.605 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.86 -32.28 40.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.9 mt -77.78 -31.28 51.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.632 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -75.4 -26.16 58.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.664 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -39.61 68.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -66.59 -29.29 69.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -69.94 -31.83 69.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.48 -31.3 60.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -74.57 -33.13 62.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -108.4 79.99 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.376 -1.236 . . . . 0.0 112.493 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.791 0.329 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 60.59 111.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 6.3 m-85 -124.95 128.68 48.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.81 132.08 41.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 23.3 tp -141.01 113.45 8.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -92.68 87.69 5.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -72.42 137.14 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.27 79.0 2.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.87 127.78 1.0 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.537 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -61.62 -58.09 9.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -61.93 -35.89 79.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.459 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -61.23 -54.56 42.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.558 179.874 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -60.95 -43.39 98.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.135 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -32.11 67.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.414 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.4 ttm -67.63 -60.35 2.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.235 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.501 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 3.5 m-85 -61.13 -26.84 67.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.736 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -69.97 -35.82 74.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.271 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.0 -31.92 39.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.273 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.43 -30.57 57.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.5 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -75.15 -40.67 59.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.667 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -71.21 -33.73 70.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.707 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.0 -34.25 68.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.58 -38.38 77.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.649 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -63.55 -29.99 71.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.782 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.44 -50.12 54.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -61.54 -30.91 70.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -67.09 -31.95 72.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.69 -31.52 46.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.075 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -86.08 -32.28 21.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -105.75 -172.46 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.546 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.822 0.344 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 62.9 144.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.419 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 17.1 m-85 -153.31 103.82 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.9 m -61.28 142.85 56.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 17.5 tp -147.79 105.66 3.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -85.48 83.68 7.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -69.16 128.33 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.444 ' CG ' ' CE1' ' D' ' 327' ' ' TYR . 0.0 OUTLIER -99.98 74.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 169.09 119.77 0.5 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.444 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.0 ptm85 -60.25 -35.19 74.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -74.3 -48.93 25.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -57.06 -42.33 80.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.722 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -61.56 -48.17 82.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.444 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -54.75 -33.22 60.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.591 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.9 ttm -66.71 -58.5 4.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.339 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.63 -30.0 69.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.737 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -35.63 79.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.177 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -79.57 -31.49 41.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.289 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.21 -30.0 60.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.588 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -75.68 -42.91 49.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.71 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.57 -30.17 62.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.72 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.06 -30.79 49.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.03 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -76.48 -31.91 58.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.754 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.76 -31.12 64.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.817 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 mt -68.97 -36.53 78.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -62.66 -32.49 73.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.5 -31.49 72.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.12 -31.79 73.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -77.65 -53.71 7.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . 59.59 94.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.365 -1.241 . . . . 0.0 112.538 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.801 0.334 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.444 ' CE1' ' CG ' ' C' ' 333' ' ' ARG . 43.7 m-85 -84.16 132.63 34.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -121.03 103.05 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.83 134.21 49.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.3 tp -141.82 115.41 9.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -90.1 132.18 35.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -137.26 129.96 43.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 21.0 ttp85 -72.68 -31.13 64.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -61.9 116.74 9.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.514 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 37.8 ttp85 -74.02 -35.77 64.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.332 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -73.03 -47.59 43.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.7 mtm105 -58.71 -41.25 85.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.689 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.419 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 11.6 t80 -61.45 -47.12 87.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.482 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -54.33 -36.48 63.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.68 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.5 ttm -65.99 -57.85 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.277 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.38 -29.88 70.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.684 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -69.06 -34.81 75.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.204 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -79.84 -31.54 40.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.288 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.38 -30.72 60.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.562 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -75.45 -42.04 54.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.691 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -71.82 -30.33 65.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.642 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.79 -34.58 64.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.03 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.27 -37.84 71.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.774 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -70.67 -30.44 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -38.77 69.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -66.19 -31.46 72.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.98 -36.17 79.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.21 -31.53 72.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.064 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -81.45 -33.15 32.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -130.5 81.24 1.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.051 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.511 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.797 0.332 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 62.7 146.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.405 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 15.6 m-85 -153.17 98.95 2.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.6 134.66 53.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 6.9 tp -141.48 124.09 15.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -104.5 140.9 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -133.5 135.85 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.24 35.17 2.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -145.32 139.81 8.61 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -33.57 48.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.766 0.317 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.39 -34.91 31.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.722 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 0.1 OUTLIER -65.87 -50.63 63.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.471 179.671 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.42 ' CE2' HD23 ' B' ' 330' ' ' LEU . 5.9 t80 -64.33 -42.54 96.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.927 179.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -58.42 -32.34 68.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.333 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 3.8 ttp -66.98 -60.03 2.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.248 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.445 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 3.4 m-85 -62.13 -28.88 69.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.757 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -71.37 -37.57 71.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.922 0.392 . . . . 0.0 110.121 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -78.11 -31.23 49.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.235 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . 0.405 ' CD2' ' CD2' ' D' ' 344' ' ' LEU . 62.1 mt -75.04 -30.45 61.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.587 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -74.53 -42.51 58.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.714 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -71.48 -32.41 68.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.23 -32.0 61.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.047 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.32 -33.68 65.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.804 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -68.49 -31.59 70.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 mt -70.25 -32.32 70.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -65.69 -31.76 72.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.819 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.58 -31.95 72.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.75 -31.24 71.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -83.01 -46.17 13.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . 60.32 78.94 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.468 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.807 0.337 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 61.98 116.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -129.89 106.06 8.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.49 152.75 42.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.42 HD23 ' CE2' ' A' ' 338' ' ' PHE . 12.1 tp -157.21 121.67 4.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -99.87 91.0 4.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 26.4 mm -78.89 137.71 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.9 30.63 4.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -123.98 136.66 10.35 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.428 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -75.81 -67.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -61.47 -40.97 96.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.813 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.474 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -59.23 -51.14 71.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.657 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.405 ' CD2' ' HB2' ' A' ' 328' ' ' PHE . 8.7 t80 -61.6 -45.19 95.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.132 179.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.29 -32.24 64.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.407 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -67.01 -61.13 2.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.164 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.474 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 5.3 m-85 -59.55 -28.42 67.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.602 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.0 ttp85 -65.94 -35.46 80.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.134 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.1 -32.55 56.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.346 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 2.5 mp -73.15 -33.01 65.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.521 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -71.49 -42.92 67.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.762 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -71.58 -31.15 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.23 -33.6 59.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.039 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.94 -30.71 62.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -71.36 -30.57 66.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.773 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 mt -66.94 -38.65 86.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.807 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 49.6 mttt -59.9 -31.17 69.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -74.09 -34.37 63.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.36 -37.92 63.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -31.47 40.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -76.55 171.7 14.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.506 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.821 0.343 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -135.55 152.24 51.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -150.44 88.6 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 2.4 m -60.9 126.34 27.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -121.07 110.85 16.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -84.15 115.5 22.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.7 mt -124.6 130.07 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.043 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.409 ' HB3' ' CE2' ' D' ' 327' ' ' TYR . 13.0 ptt180 -95.86 78.28 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.93 128.32 1.28 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.04 -33.17 63.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.11 -54.01 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -56.32 -40.92 75.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.684 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.421 ' CE1' HD13 ' D' ' 330' ' ' LEU . 11.3 t80 -63.35 -47.01 83.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.384 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -55.6 -32.81 63.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.7 ttm -67.3 -58.51 4.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.361 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.18 -29.15 69.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.741 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -68.28 -34.12 75.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.212 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -80.16 -32.48 38.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.279 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.67 -30.74 56.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.551 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -75.78 -38.92 57.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.661 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -71.57 -31.9 67.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.73 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.98 -37.12 67.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.64 -35.02 74.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.814 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -72.87 -30.65 64.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.04 -32.93 69.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -66.34 -31.47 72.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -65.05 -32.31 73.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.09 -38.69 92.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -72.23 -32.86 67.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -108.98 84.73 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.521 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.866 0.365 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.409 ' CE2' ' HB3' ' C' ' 333' ' ' ARG . 50.5 m-85 -77.53 146.84 36.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -137.12 97.84 3.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.96 109.23 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.421 HD13 ' CE1' ' C' ' 338' ' ' PHE . 6.9 tt -103.05 100.98 10.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -63.65 111.41 2.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -112.57 127.34 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.3 ptt85 -106.53 83.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.84 135.05 1.82 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -32.98 58.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.754 0.311 . . . . 0.0 110.962 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -74.88 -54.52 7.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -56.14 -47.35 78.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.744 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -59.87 -40.42 88.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.312 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -57.21 -39.89 76.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.673 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 4.2 mtm -63.51 -55.4 24.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.39 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -59.34 -32.58 70.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.765 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -64.34 -39.6 94.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.189 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -77.97 -30.73 50.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.243 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . 0.405 ' CD2' ' CD2' ' A' ' 344' ' ' LEU . 1.8 mp -76.97 -31.87 56.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.551 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -73.86 -38.36 64.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.697 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -75.3 -30.24 60.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.737 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.36 -28.55 56.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.997 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -76.8 -40.06 49.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -28.7 61.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.816 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.8 mt -76.08 -30.75 58.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.793 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -71.01 -30.97 67.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.2 -31.56 64.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.1 -41.42 61.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.12 -31.3 49.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -118.38 37.0 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.339 -1.256 . . . . 0.0 112.488 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.84 0.352 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -87.35 152.92 21.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -143.82 102.16 3.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 7.4 m -64.09 150.82 44.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.6 tp -146.23 106.14 3.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -105.93 118.53 36.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.0 mp -125.64 152.97 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -103.56 33.31 3.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -128.52 134.03 7.92 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.484 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.66 -47.96 24.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.347 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -69.2 -39.72 78.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.441 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 0.9 OUTLIER -59.79 -52.95 63.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.642 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.445 ' CD2' ' CB ' ' B' ' 328' ' ' PHE . 7.8 t80 -61.33 -44.27 97.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.016 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -56.65 -32.48 65.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.379 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.6 ttp -66.79 -60.86 2.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.158 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.441 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 6.0 m-85 -59.04 -27.91 65.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -35.98 80.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.91 0.386 . . . . 0.0 110.122 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -76.85 -36.97 56.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.271 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.51 -28.84 65.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.363 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -72.06 -47.37 52.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.719 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -69.65 -31.32 69.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.805 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.44 -31.05 57.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -74.88 -31.37 61.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -72.01 -30.97 65.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.75 -40.21 79.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -64.92 -40.93 95.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -63.92 -31.38 72.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.32 87.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -72.17 -46.08 57.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -80.13 -68.26 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.357 -1.246 . . . . 0.0 112.529 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.809 0.338 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -89.49 150.3 22.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.445 ' CB ' ' CD2' ' A' ' 338' ' ' PHE . 20.0 m-85 -137.96 99.75 3.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.91 152.94 38.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 21.7 tp -157.98 112.44 2.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -96.28 145.83 25.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.4 mp -144.48 149.62 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -102.24 35.83 2.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -130.41 137.32 9.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -74.41 -60.76 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -59.58 -34.56 72.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.445 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -61.28 -54.45 43.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.642 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -60.76 -43.23 98.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.089 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.57 -32.33 67.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.324 179.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.84 -61.31 1.93 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.192 179.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.445 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 2.0 m-85 -62.92 -24.81 68.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.723 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.13 -39.1 60.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.23 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -75.93 -33.09 59.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.423 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 1.5 mp -74.22 -31.42 62.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.478 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -71.41 -41.47 69.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.747 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.6 -32.79 66.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.66 -31.95 57.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -74.77 -30.39 61.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.783 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -71.51 -31.07 66.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -67.22 -37.73 84.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -60.71 -31.94 71.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.54 -36.55 78.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.61 66.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -72.7 -31.7 65.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.98 141.04 29.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.473 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.833 0.349 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 60.24 108.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -111.88 104.68 12.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.1 144.24 57.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.964 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 18.6 tp -144.33 97.52 3.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -77.75 87.87 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 21.7 mt -92.32 135.74 26.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -101.6 31.35 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.2 108.16 0.79 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.525 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -32.14 70.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -76.28 -54.07 7.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttm105 -56.64 -40.21 75.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.64 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -62.69 -47.02 85.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.365 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.6 -34.37 61.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.682 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.8 mtm -66.46 -58.68 4.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.301 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -60.29 -29.1 68.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.727 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -36.1 80.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.21 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -79.89 -32.2 40.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.273 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.5 mt -76.28 -28.73 57.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.507 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -76.39 -41.79 46.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.714 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -74.25 -31.97 62.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.709 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.92 -30.69 50.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.965 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 11.7 mt -76.33 -30.79 57.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.781 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -72.42 -31.04 65.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.8 mt -67.72 -34.27 76.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -61.96 -35.55 78.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -32.01 71.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.85 -43.05 63.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -75.26 -31.56 60.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.16 -31.19 34.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.038 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.367 -1.241 . . . . 0.0 112.506 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.811 0.338 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 63.39 128.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.948 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -141.87 104.78 4.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.15 127.81 33.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 37.7 tp -125.96 118.57 25.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -93.0 87.02 5.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -80.66 116.45 24.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.7 79.41 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 167.29 131.26 1.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -32.88 61.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -75.86 -50.03 16.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -56.87 -45.23 82.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.668 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -60.81 -45.91 92.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.337 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.91 -34.41 63.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.632 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.54 -59.34 3.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.284 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.54 -28.54 68.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.706 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -67.99 -33.79 75.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.184 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.51 -32.26 36.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.272 179.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.13 -32.3 59.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.438 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -74.18 -40.38 62.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.713 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -72.79 -32.08 65.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.711 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.53 -31.28 63.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.967 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.83 -40.28 65.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.748 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -66.71 -30.13 70.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.8 mt -72.75 -45.4 58.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -70.25 -30.73 67.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -75.78 -30.98 59.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.84 -31.11 61.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -85.89 -40.63 15.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -101.56 94.16 5.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.392 -1.226 . . . . 0.0 112.48 179.95 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 1.6 mm-40 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.814 0.34 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -104.61 134.56 47.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 326' ' ' GLU . 7.7 m-85 -129.52 107.97 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 6.0 m -77.75 146.2 36.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 1.2 tt -148.29 97.43 2.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -75.89 106.14 7.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.4 mp -99.91 138.39 24.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.145 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -99.46 31.04 3.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -147.63 127.11 2.54 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 10.2 ttt85 -70.39 -36.02 73.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -67.11 -47.31 71.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.421 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 0.1 OUTLIER -56.93 -47.66 80.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.692 179.905 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.419 ' CE2' ' HD3' ' A' ' 342' ' ' ARG . 8.5 t80 -60.01 -45.46 92.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.358 179.683 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -55.35 -34.36 64.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.615 179.723 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.3 ttp -66.92 -59.2 3.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.257 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.428 ' CD2' ' CD2' ' B' ' 341' ' ' PHE . 3.7 m-85 -60.47 -27.45 67.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.705 179.557 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.419 ' HD3' ' CE2' ' A' ' 338' ' ' PHE . 9.8 tpt85 -68.02 -37.49 81.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.964 0.411 . . . . 0.0 110.113 179.374 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -76.94 -32.69 57.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.342 179.462 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.78 -31.91 63.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.469 179.551 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -71.37 -43.07 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.682 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -69.68 -37.47 76.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.766 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.38 -30.08 65.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 6.4 mt -71.79 -37.09 70.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.809 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -31.82 71.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 mt -66.85 -35.49 80.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -60.86 -37.71 83.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.76 -31.64 71.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.03 -32.99 65.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -69.78 -31.62 69.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -100.81 154.56 18.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.325 -1.264 . . . . 0.0 112.466 -179.94 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.835 0.35 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 63.39 135.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -150.33 124.44 9.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 10.6 m -90.43 108.96 20.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 33.1 tp -103.95 111.11 23.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -96.79 105.0 17.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mt -103.96 139.59 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -98.2 30.1 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -128.71 129.63 6.25 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.366 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 10.7 ttm-85 -77.8 -51.1 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.742 0.306 . . . . 0.0 111.143 -179.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -60.16 -50.76 72.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.078 -179.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -60.26 -46.19 90.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.552 179.803 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -60.61 -39.57 88.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.293 179.539 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.34 -40.1 77.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.756 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.7 mtm -63.44 -55.96 20.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.39 179.583 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.428 ' CD2' ' CD2' ' A' ' 341' ' ' PHE . 4.0 m-85 -59.59 -31.13 69.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.786 179.771 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -37.97 88.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.944 0.402 . . . . 0.0 110.26 179.496 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -79.19 -30.68 43.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.202 179.267 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.42 -31.57 57.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.474 179.582 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -74.82 -41.34 60.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.656 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -72.5 -32.69 66.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.767 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.32 -31.84 60.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.953 179.836 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.84 -34.85 67.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.661 179.82 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -66.67 -31.34 71.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.808 179.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.85 -42.6 63.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.787 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -68.58 -31.3 70.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -70.88 -31.01 67.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.28 -43.67 66.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -75.63 -30.14 59.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -125.3 -69.47 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.115 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.407 -1.219 . . . . 0.0 112.506 179.978 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.832 0.348 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 60.89 112.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -128.15 110.55 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 4.5 m -98.36 134.08 41.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 16.0 tp -123.81 110.07 14.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -88.93 85.88 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.2 mt -83.03 138.07 19.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.065 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 9.0 ptt180 -100.11 36.7 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -135.16 116.35 1.54 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.442 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.95 -35.11 74.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -78.84 -47.24 17.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.463 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -57.67 -49.58 76.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.719 179.736 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -61.88 -44.24 97.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.103 179.469 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -56.65 -32.17 65.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.389 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -61.71 1.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.993 179.31 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.466 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 6.7 m-85 -58.35 -28.51 65.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.75 179.428 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -65.88 -39.58 90.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.93 0.395 . . . . 0.0 110.121 179.288 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -75.6 -33.42 60.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.22 179.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -30.47 65.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.401 179.477 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.8 -46.8 62.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.595 179.729 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -24.88 62.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.898 179.818 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.25 -30.94 48.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.97 179.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -75.87 -40.66 54.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.701 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.03 -28.46 64.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.745 179.755 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 5.7 mt -71.21 -31.61 67.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.757 179.794 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -64.37 -35.76 81.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.81 -31.18 69.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.88 -34.72 73.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -110.93 30.9 6.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -149.62 176.96 10.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.521 -179.969 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.81 0.338 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -78.03 143.09 37.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -133.96 130.67 38.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.95 111.79 24.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 39.7 tp -105.81 89.36 3.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -72.66 115.83 12.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 22.9 mt -124.38 139.14 51.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ptp85 -98.52 30.94 3.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -128.3 119.64 3.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.413 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -65.38 -47.58 75.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.55 -45.43 90.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.468 ' HG3' ' CE2' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -58.3 -50.1 74.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.695 179.891 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -62.14 -43.79 98.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.143 179.425 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -56.85 -32.59 65.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.389 179.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.4 ttm -67.19 -61.42 1.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.15 179.294 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.468 ' CE2' ' HG3' ' D' ' 337' ' ' ARG . 4.7 m-85 -60.35 -26.8 66.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.772 179.532 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -69.57 -33.29 72.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.241 179.415 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -79.88 -32.57 40.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.412 179.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 3.6 mp -76.66 -30.23 56.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.696 179.67 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -77.12 -37.74 53.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.765 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -74.46 -29.05 61.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . 0.404 ' HA ' ' CD2' ' D' ' 350' ' ' LEU . . . -82.15 -28.86 31.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.042 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 9.8 mt -81.32 -25.44 36.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -81.62 -30.82 32.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.071 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' D' ' 347' ' ' ALA . 4.3 pp -79.3 -25.41 42.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.895 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -78.25 -30.17 48.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.837 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.67 -30.95 46.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.72 -32.5 46.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -82.15 -31.09 30.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -104.93 127.62 52.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.52 -179.971 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.794 0.331 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.412 ' CE1' ' HG3' ' B' ' 333' ' ' ARG . 76.3 m-85 60.62 111.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 328' ' ' PHE . 4.7 m-85 -125.21 105.11 8.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.54 152.86 24.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.41 HD12 ' CE2' ' B' ' 338' ' ' PHE . 17.3 tp -155.88 117.65 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -103.05 83.8 2.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -84.56 138.03 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 8.2 ptt85 -95.97 61.08 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -159.49 107.4 0.32 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.422 ' CD ' ' CZ ' ' B' ' 328' ' ' PHE . 15.7 tpt85 -60.39 -49.78 76.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.88 -46.68 83.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.416 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 5.1 ttm180 -57.11 -43.91 82.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.799 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.419 ' CE2' HD21 ' B' ' 330' ' ' LEU . 11.7 t80 -60.32 -47.26 86.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.413 179.752 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -54.2 -35.24 62.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.633 179.755 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -65.44 -58.85 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.224 179.478 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.441 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 4.9 m-85 -59.72 -30.52 68.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.946 179.756 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -68.69 -36.89 79.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.93 0.395 . . . . 0.0 110.242 179.488 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.93 -29.36 39.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.217 179.306 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -31.09 56.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.646 179.582 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -76.28 -41.1 49.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.764 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -75.88 -29.95 58.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.732 179.802 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.58 -30.72 36.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.011 179.78 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 16.3 mt -79.39 -27.3 41.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -77.46 -28.4 52.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.77 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 5.8 mt -73.76 -38.88 64.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -66.38 -30.51 70.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.53 -31.79 73.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.887 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.47 -31.04 60.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.51 -33.42 60.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -120.59 30.97 6.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.522 179.963 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.841 0.353 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 60.34 109.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.422 ' CZ ' ' CD ' ' A' ' 335' ' ' ARG . 15.5 m-85 -132.11 136.96 47.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.95 148.24 31.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.419 HD21 ' CE2' ' A' ' 338' ' ' PHE . 32.1 tp -155.42 113.17 3.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -89.32 98.16 11.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 25.7 mm -84.86 118.02 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.412 ' HG3' ' CE1' ' A' ' 327' ' ' TYR . 12.9 ttt180 -91.07 62.12 4.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -174.5 126.82 1.23 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.86 -40.87 83.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -76.17 -45.65 32.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.47 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -58.56 -51.17 71.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 179.801 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.41 ' CE2' HD12 ' A' ' 330' ' ' LEU . 6.3 t80 -62.73 -42.97 99.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.079 179.346 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -57.66 -32.61 67.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.414 179.485 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.15 -60.62 2.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.173 179.342 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.47 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 5.3 m-85 -59.12 -27.08 65.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.798 179.556 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 26.9 ttt-85 -67.37 -39.24 85.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.198 179.371 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -77.66 -30.98 52.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.241 179.314 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 9.8 mt -74.5 -30.27 61.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.515 179.554 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -73.86 -44.48 55.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.721 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -72.85 -30.54 64.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.708 179.779 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.43 -30.47 47.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.008 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 1.4 mt -77.1 -29.66 54.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.65 -29.43 61.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.831 179.855 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 11.8 mt -72.42 -41.38 66.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 6.8 ptmm? -64.54 -30.47 71.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.739 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.51 -33.05 74.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 179.887 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.57 -30.64 69.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.045 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -110.99 28.47 8.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.958 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.35 109.34 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.376 -1.235 . . . . 0.0 112.504 179.996 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . 0.42 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 14.6 mt-10 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.841 0.353 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.405 ' CZ ' ' HG3' ' D' ' 333' ' ' ARG . 17.6 m-85 -95.98 109.29 21.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.42 ' CZ ' ' HB3' ' C' ' 326' ' ' GLU . 25.3 m-85 -98.27 100.36 11.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.81 139.55 50.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.5 tp -136.24 94.41 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -71.32 84.14 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.7 mt -89.08 134.29 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -96.85 40.89 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.16 116.48 1.47 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.458 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -65.17 -37.32 87.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.51 -47.24 34.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -56.57 -47.65 79.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.723 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -59.47 -46.21 89.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.414 179.61 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -54.8 -34.34 62.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.625 179.671 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.7 mtm -66.41 -59.22 3.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.268 179.442 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.425 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 5.3 m-85 -59.73 -28.82 67.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.757 179.638 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 11.6 ttp85 -66.81 -35.46 80.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.952 0.406 . . . . 0.0 110.212 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -80.58 -31.56 36.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.287 179.351 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 13.7 mt -76.93 -29.07 55.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.572 179.509 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -76.92 -41.18 44.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.687 179.827 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -74.73 -30.42 61.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.757 179.839 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.08 -30.43 43.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.044 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 2.6 mt -79.14 -28.75 42.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -80.94 -30.49 35.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.757 179.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -79.43 -33.42 42.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -28.81 55.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 179.845 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.11 -30.95 58.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.93 65.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.037 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -75.89 -44.79 38.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -96.91 112.9 24.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.501 -179.985 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.771 0.32 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 60.23 109.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -128.04 111.26 13.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 4.3 m -85.99 108.13 18.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 1.4 tt -108.86 110.54 21.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -83.51 84.52 7.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -70.26 127.48 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.405 ' HG3' ' CZ ' ' C' ' 327' ' ' TYR . 19.4 ttt180 -99.81 75.17 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.23 139.84 4.1 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 10.0 tpt85 -75.38 -56.48 4.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.762 0.315 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -68.4 -42.97 78.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -49.31 77.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.71 179.861 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.41 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 10.2 t80 -59.58 -46.27 89.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.337 179.603 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.43 -34.14 64.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.638 179.665 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.1 ttm -66.29 -58.38 5.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.296 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.425 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 3.3 m-85 -60.56 -29.94 69.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.797 179.692 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -68.34 -38.25 81.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.194 179.446 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -77.49 -32.23 54.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.31 179.334 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 79.6 mt -74.27 -30.63 62.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.496 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -72.7 -43.88 62.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.679 179.679 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -71.2 -36.25 71.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.775 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.05 -26.58 59.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 1.5 mt -75.39 -34.97 61.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.56 -26.63 65.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.974 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 8.0 mt -71.79 -46.02 59.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.989 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -62.94 -29.71 71.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.11 -31.7 72.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.55 -31.13 70.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -77.52 -39.85 44.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -93.37 177.95 5.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.448 -179.992 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.851 0.358 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.413 ' CE1' ' HD2' ' B' ' 333' ' ' ARG . 5.8 m-85 61.21 112.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -123.65 97.93 5.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.42 128.05 34.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.2 tp -131.94 114.2 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -81.45 134.09 35.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -136.77 135.27 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.48 33.31 2.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.51 120.63 2.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -70.6 -40.03 73.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.12 -57.75 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -55.32 -46.64 76.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.72 179.847 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.416 ' CZ ' ' HD3' ' A' ' 342' ' ' ARG . 3.9 t80 -60.75 -39.78 89.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.326 179.612 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.9 -39.24 77.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.63 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.8 ttm -63.8 -55.58 21.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.432 179.646 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.47 -32.57 71.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.726 179.716 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.416 ' HD3' ' CZ ' ' A' ' 338' ' ' PHE . 28.8 tpt85 -65.18 -34.9 79.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.955 0.407 . . . . 0.0 110.242 179.483 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -79.86 -31.56 40.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.271 179.378 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.32 -30.42 60.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.524 179.618 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -75.21 -43.13 53.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.61 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.68 -31.7 67.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.677 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.82 -31.39 63.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.96 179.762 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 32.4 mt -72.13 -39.5 68.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.771 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -69.12 -31.22 69.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.03 -38.73 72.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -66.0 -37.0 84.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -68.12 -34.34 76.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.15 -31.19 62.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -73.96 -31.56 63.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -102.85 110.08 21.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.098 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.351 -1.25 . . . . 0.0 112.482 -179.999 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.805 0.335 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 62.38 149.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -147.63 104.9 3.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.75 112.77 13.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.409 HD11 ' CD2' ' A' ' 338' ' ' PHE . 2.1 tt -106.72 104.74 14.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -76.62 102.62 6.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.4 mp -97.12 118.51 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.413 ' HD2' ' CE1' ' A' ' 327' ' ' TYR . 4.3 mtp180 -92.15 75.27 5.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 179.898 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 170.13 134.87 1.81 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.514 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 22.3 ttp85 -75.59 -32.11 60.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -73.61 -58.87 3.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -55.79 -41.12 73.64 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -63.22 -39.51 94.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.305 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -57.9 -40.39 80.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.656 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -63.16 -54.91 30.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.481 179.676 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -61.79 -32.56 72.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.752 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -38.54 83.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.293 179.495 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -77.51 -31.8 53.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.305 179.448 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 88.0 mt -75.01 -29.55 60.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.649 179.574 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -74.75 -42.42 58.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.754 179.802 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -71.04 -32.58 69.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.751 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.61 -31.91 63.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.967 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 13.6 mt -72.05 -37.68 69.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -66.67 -30.46 70.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 33.2 mt -66.95 -41.21 87.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -60.26 -31.53 70.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.2 -33.79 72.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.32 -33.91 75.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -84.83 -31.58 23.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.97 -51.42 47.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.036 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.027 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.514 -179.998 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.831 0.348 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -77.71 123.98 27.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -107.01 97.57 7.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 2.0 m -67.82 104.95 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 40.6 tp -111.23 116.23 30.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -97.84 115.88 28.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -117.0 145.84 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.419 ' HD3' ' CE1' ' D' ' 327' ' ' TYR . 13.3 ttp85 -97.35 69.3 2.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -172.96 120.61 0.82 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.465 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -69.25 -32.3 71.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -77.65 -50.88 11.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.462 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -56.54 -47.53 79.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.757 179.826 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.449 ' CE2' ' CD1' ' D' ' 330' ' ' LEU . 8.1 t80 -62.46 -44.58 96.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.159 179.427 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -56.05 -32.34 63.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.458 179.498 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.2 ttp -67.2 -61.81 1.73 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.074 179.27 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.462 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 6.0 m-85 -59.64 -27.56 66.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.532 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -33.85 74.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.915 0.388 . . . . 0.0 110.135 179.373 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -78.68 -32.74 47.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.297 179.437 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 4.3 mp -73.77 -33.87 64.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.429 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -71.0 -42.69 69.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.534 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -66.88 -37.42 84.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.647 179.753 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.86 -35.28 80.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.58 -45.07 84.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.678 179.859 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -59.99 -31.63 70.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.8 mp -67.87 -45.45 74.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -60.39 -31.68 70.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.75 -31.56 66.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.67 -31.45 68.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -67.33 -33.42 75.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -116.02 93.71 4.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.499 -179.98 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.824 0.345 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.419 ' CE1' ' HD3' ' C' ' 333' ' ' ARG . 0.7 OUTLIER -158.72 140.07 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -136.45 128.44 29.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.36 141.45 28.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.449 ' CD1' ' CE2' ' C' ' 338' ' ' PHE . 11.0 tp -140.57 107.41 5.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -91.61 101.21 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -98.61 120.27 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -82.94 76.25 9.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.89 133.97 1.86 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -74.37 -33.97 63.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.64 -45.21 22.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.969 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.45 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 2.2 tpp180 -58.23 -50.2 74.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.715 179.825 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -62.13 -44.32 96.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.106 179.423 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -56.87 -32.54 65.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.448 179.479 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.3 ttp -66.82 -60.23 2.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.237 179.399 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.45 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.4 m-85 -59.34 -28.57 66.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.777 179.524 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -66.47 -36.59 83.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.095 179.301 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.03 -32.72 57.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.311 179.429 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.55 -30.56 64.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.54 179.562 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -72.83 -45.65 57.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.729 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -69.6 -31.84 70.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.798 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.66 -32.41 62.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.036 179.87 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -72.19 -34.44 68.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 179.896 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.95 -31.69 68.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -71.18 -34.22 70.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -66.39 -35.82 81.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.85 -31.55 72.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.24 -40.22 62.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -74.89 -31.56 61.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -134.7 80.72 1.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.066 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.517 179.97 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.81 0.338 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -132.55 151.52 51.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.414 ' CZ ' ' HD3' ' B' ' 335' ' ' ARG . 40.1 m-85 -152.8 100.78 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 6.8 m -72.0 137.97 47.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.419 HD12 ' CE2' ' B' ' 338' ' ' PHE . 43.5 tp -137.53 109.45 7.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -89.87 98.63 11.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.469 HD11 HG22 ' A' ' 332' ' ' ILE . 26.3 mm -81.71 128.38 38.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.71 30.93 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -138.94 123.95 2.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.59 -43.3 99.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.341 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -75.23 -51.83 12.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -56.09 -41.98 76.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.704 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.411 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 12.2 t80 -62.04 -47.79 83.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.375 179.613 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -54.61 -33.95 61.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.691 179.73 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.8 mtp -66.29 -58.04 6.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.336 179.537 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.42 ' HB3' ' CG ' ' B' ' 341' ' ' PHE . 3.1 m-85 -60.95 -30.62 70.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.807 179.713 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.48 -37.74 80.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.421 . . . . 0.0 110.22 179.468 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -78.77 -30.9 45.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.201 179.317 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.1 -31.55 61.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.546 179.525 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -73.59 -43.05 60.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.719 179.817 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -73.16 -31.62 64.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.687 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.26 -31.54 55.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.94 -31.42 61.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.754 179.848 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -70.43 -30.72 67.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.81 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -65.81 -36.98 85.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -59.7 -38.57 81.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.91 -38.48 85.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.17 -31.47 62.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -78.74 -31.47 46.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -94.58 -74.1 0.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.507 -179.968 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.811 0.339 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -84.76 152.9 23.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.411 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 23.4 m-85 -142.67 103.23 4.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.3 m -63.06 148.97 46.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.1 tp -148.23 94.35 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -82.36 127.25 33.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 22.6 mt -134.88 152.48 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -105.19 36.42 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.77 125.12 4.02 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.414 ' HD3' ' CZ ' ' A' ' 328' ' ' PHE . 14.3 tpt180 -73.08 -39.35 65.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -74.17 -42.32 60.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.424 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 6.3 ttm180 -57.88 -49.53 76.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.711 179.882 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.419 ' CE2' HD12 ' A' ' 330' ' ' LEU . 10.2 t80 -59.65 -46.42 89.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.36 179.644 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -55.87 -33.03 64.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.59 179.699 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.4 ttp -67.0 -58.67 4.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.337 179.457 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.424 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.4 m-85 -61.06 -29.65 69.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.689 179.677 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -68.17 -37.23 80.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.214 179.355 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.4 -33.9 54.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.143 179.318 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.12 -29.73 65.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.359 179.416 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -72.34 -49.39 34.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.619 179.695 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.33 -28.9 69.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.826 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.86 -36.07 67.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.064 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.28 -37.34 77.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.821 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.29 -30.94 66.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 16.2 mt -72.48 -37.9 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -67.07 -31.5 72.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.85 -31.67 61.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.16 -32.48 64.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -72.35 -32.62 66.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -91.73 177.57 6.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.435 -1.203 . . . . 0.0 112.479 179.997 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.833 0.349 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 60.53 111.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.403 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 6.6 m-85 -127.76 103.91 7.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.12 103.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 7.0 tp -100.04 117.14 33.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -91.05 114.22 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -109.37 141.29 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.094 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -106.06 73.12 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.18 130.2 1.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -30.57 63.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -74.14 -55.24 6.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -55.62 -40.14 71.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.712 179.867 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -63.31 -47.51 81.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.335 179.553 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -54.63 -33.83 61.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.666 179.708 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.6 mmm -66.4 -58.43 5.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.323 179.519 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.408 ' CD2' ' CD1' ' D' ' 341' ' ' PHE . 4.1 m-85 -59.96 -29.59 68.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.819 179.677 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -36.44 81.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.179 179.365 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -79.01 -32.01 44.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.273 179.345 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.0 -30.27 61.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.528 179.538 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -74.66 -42.78 57.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.697 179.801 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.93 -32.55 69.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.748 179.763 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.43 -32.97 64.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.884 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.88 -37.62 73.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.675 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.73 -31.24 72.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -67.01 -46.3 74.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.822 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -60.07 -36.01 76.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.87 -32.13 72.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.36 -31.12 62.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.06 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -72.94 -34.41 66.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -88.44 112.73 23.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.483 179.997 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.775 0.322 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -146.84 97.05 2.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -84.61 99.5 10.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 14.7 m -73.99 135.61 43.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 19.4 tp -134.31 103.33 5.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -70.38 111.14 5.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 28.4 mm -96.52 130.04 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.53 30.83 3.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -147.33 119.32 1.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -32.18 70.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 0.0 110.934 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -75.43 -52.78 9.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttm105 -56.9 -38.86 73.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.649 179.824 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -63.29 -48.0 79.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.381 179.627 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.45 -33.44 59.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.656 179.682 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.0 ttm -66.84 -58.96 4.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.313 179.473 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.408 ' CD1' ' CD2' ' C' ' 341' ' ' PHE . 3.5 m-85 -61.1 -29.62 69.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.73 179.596 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 28.2 ttp85 -68.66 -35.57 77.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.968 0.413 . . . . 0.0 110.174 179.398 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -80.05 -31.28 39.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.191 179.306 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.13 -31.3 61.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.488 179.484 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -74.73 -43.47 54.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.613 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -71.05 -30.8 67.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.812 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.22 -34.53 59.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 179.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -72.25 -30.75 65.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 179.774 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -73.49 -44.05 58.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 pp -69.58 -31.47 69.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.918 0.389 . . . . 0.0 110.503 179.809 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -72.43 -42.3 65.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.436 179.613 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.03 -31.41 72.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.842 179.886 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.73 87.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -69.95 -32.61 70.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -117.44 92.74 3.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.501 -179.99 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.823 0.344 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.407 ' CZ ' ' HG2' ' B' ' 333' ' ' ARG . 52.2 m-85 60.9 112.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.402 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 8.2 m-85 -127.61 112.36 14.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.94 132.44 53.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 15.7 tp -135.52 116.55 14.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -103.76 119.11 38.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 27.5 mm -111.37 152.25 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -110.69 37.68 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -144.23 129.53 3.64 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 -64.55 -66.54 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -59.68 -37.62 79.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.831 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.453 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 1.5 tpt180 -59.5 -51.5 69.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.647 179.82 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -60.76 -46.85 88.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.111 179.499 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -55.66 -32.2 63.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.402 179.478 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.9 ttp -66.74 -60.9 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.1 179.35 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.453 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 4.0 m-85 -60.15 -29.17 68.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 179.575 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.13 -41.87 69.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.077 179.283 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -75.61 -30.64 59.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.18 179.198 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 3.6 tp -72.73 -30.88 64.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.465 179.552 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -72.43 -46.9 52.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.642 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.45 -24.77 61.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . 0.408 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . . . -83.55 -27.52 29.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 179.859 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.38 -27.7 34.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.004 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -81.09 -29.28 34.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.188 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.408 ' CD2' ' HA ' ' A' ' 347' ' ' ALA . 4.1 pp -80.9 -28.51 35.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.33 -29.2 47.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.821 0.344 . . . . 0.0 110.641 179.725 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.61 -31.02 67.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.663 179.774 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.34 -30.88 71.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.984 179.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -111.07 27.65 9.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.58 -48.35 13.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.156 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.351 -1.249 . . . . 0.0 112.576 179.974 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.809 0.338 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -133.42 152.9 51.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -137.39 122.8 19.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.1 153.04 26.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 7.5 tp -155.12 112.12 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -87.07 84.46 7.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 29.2 mm -75.47 109.76 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.407 ' HG2' ' CZ ' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -65.28 -30.62 71.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.959 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -75.14 133.89 15.86 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.563 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -74.14 -57.15 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.1 -38.45 83.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.45 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 1.2 tpp180 -59.74 -51.74 68.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.755 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.402 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 8.0 t80 -59.55 -44.28 93.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.273 179.562 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.44 -34.99 64.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.533 179.529 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.93 -60.07 3.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.22 179.413 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.45 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 4.2 m-85 -60.67 -28.43 68.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.609 179.59 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -32.84 74.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.102 179.289 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -77.99 -32.7 51.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.317 179.381 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 3.2 mp -73.04 -37.45 66.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.437 179.58 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -69.06 -40.66 78.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.608 179.804 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -34.96 78.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.656 179.749 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.39 -40.37 93.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.84 179.791 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.12 -44.37 95.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.82 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -62.15 -31.43 71.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.41 -32.87 62.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -30.91 67.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -69.87 -31.89 69.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.07 -38.49 79.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -63.91 -33.69 76.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.72 179.15 4.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.519 -179.958 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.826 0.346 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 61.29 112.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.409 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 5.4 m-85 -126.12 113.41 17.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.55 104.39 11.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.406 ' HB2' ' CE1' ' D' ' 338' ' ' PHE . 23.1 tp -95.01 114.38 26.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -88.61 97.17 10.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.3 mp -96.14 126.3 48.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -98.75 33.82 2.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.67 115.62 1.3 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.0 ptt-85 -61.22 -35.98 78.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -74.32 -54.46 7.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.5 mtm105 -55.43 -42.34 74.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.668 179.928 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -61.0 -45.7 93.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.391 179.659 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -54.08 -36.66 63.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.64 179.712 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -65.39 -59.35 4.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.259 179.39 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.481 ' CD1' ' CD2' ' D' ' 341' ' ' PHE . 4.5 m-85 -58.96 -27.28 65.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.708 179.588 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -39.01 88.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.99 0.424 . . . . 0.0 110.138 179.373 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.69 -32.55 57.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.27 179.394 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.3 mt -73.39 -29.78 62.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.506 179.508 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -72.96 -45.12 59.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.707 179.806 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -71.32 -33.91 70.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.742 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.5 -29.65 56.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.998 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 9.9 mt -76.24 -29.44 57.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -77.38 -32.06 54.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.823 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.16 -37.97 52.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.808 179.867 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.04 -28.77 57.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.864 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -78.82 -30.55 45.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 179.88 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.32 -30.81 57.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.062 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -74.26 -31.7 62.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.05 36.6 1.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.463 179.995 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.791 0.329 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 60.66 102.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -111.43 99.26 8.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 30.4 m -68.41 128.89 38.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 53.0 tp -127.39 110.76 13.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -85.58 123.79 31.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -125.15 137.39 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -97.86 36.41 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.28 120.32 2.18 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -59.95 4.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 110.937 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -59.86 -33.86 72.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.437 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 6.5 ttp180 -60.93 -54.0 50.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.647 179.76 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.406 ' CE1' ' HB2' ' C' ' 330' ' ' LEU . 8.6 t80 -61.02 -45.56 94.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.062 179.399 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -56.78 -31.55 64.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.351 179.421 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.3 ttp -67.1 -60.71 2.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.213 179.342 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.481 ' CD2' ' CD1' ' C' ' 341' ' ' PHE . 3.6 m-85 -60.97 -28.57 69.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.776 179.606 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -70.66 -37.71 73.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.939 0.399 . . . . 0.0 110.25 179.45 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -79.01 -31.28 44.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.289 179.292 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.1 mt -76.04 -29.35 58.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.578 179.564 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -75.67 -42.12 52.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.639 179.772 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -71.76 -32.58 67.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.699 179.828 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.47 -34.11 63.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.14 -34.18 70.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.691 179.825 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -66.01 -30.24 70.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.6 mp -62.74 -40.55 97.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -59.26 -39.97 84.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.52 -32.95 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.04 -31.21 61.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.067 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -74.61 -32.79 62.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -104.6 -67.99 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.472 -179.993 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.866 0.365 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.403 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 12.9 m-85 -133.33 109.31 9.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -106.36 100.66 10.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.12 150.99 47.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 14.1 tp -152.79 106.57 3.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -84.55 119.63 25.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 28.0 mm -115.8 121.69 67.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.419 ' HG2' ' CE2' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -64.98 -30.87 71.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 179.937 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -70.84 131.51 21.14 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.526 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.415 ' HG3' ' CZ ' ' B' ' 328' ' ' PHE . 11.4 ttp180 -75.35 -57.63 3.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -61.67 -39.31 90.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.44 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -59.76 -51.91 67.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.754 179.894 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.423 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 7.7 t80 -59.99 -43.86 94.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.288 179.559 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.51 -34.06 66.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.416 179.557 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.8 tpp -66.63 -60.77 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.104 179.342 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.44 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 3.8 m-85 -61.03 -28.54 69.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.792 179.546 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -70.29 -38.09 74.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.958 0.409 . . . . 0.0 110.032 179.361 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.02 -30.36 61.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.099 179.153 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.97 -42.49 66.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.476 179.537 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -65.0 -38.75 91.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.737 179.856 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -70.45 -30.89 67.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.48 -31.8 67.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.31 -44.38 62.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -68.02 -28.24 67.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.49 -37.55 65.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -69.59 -32.35 71.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.54 -34.22 72.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.35 -31.01 70.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.068 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -81.24 -32.66 33.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -66.4 114.96 5.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.435 -1.203 . . . . 0.0 112.513 -179.983 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.83 0.348 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.419 ' CE2' ' HG2' ' A' ' 333' ' ' ARG . 13.0 m-85 -94.84 152.92 17.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.423 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 19.5 m-85 -135.86 107.83 7.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 4.2 m -69.82 125.63 27.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.416 HD11 ' CE2' ' A' ' 338' ' ' PHE . 19.2 tp -111.64 110.28 20.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -90.29 88.05 7.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mt -85.41 149.52 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.403 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 6.0 ttt180 -117.13 42.99 2.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -155.36 137.16 5.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.74 -41.14 68.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -74.74 -40.33 61.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.782 179.878 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.441 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 2.0 tpp180 -59.26 -51.39 70.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.623 179.803 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -61.09 -45.64 93.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.169 179.464 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.33 -32.4 64.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.483 179.542 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttm -66.57 -59.84 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.193 179.351 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.441 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 5.5 m-85 -59.48 -30.86 68.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.726 179.614 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -65.97 -39.61 90.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.984 0.421 . . . . 0.0 109.938 179.288 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -74.71 -29.83 61.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.905 178.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.9 -44.07 64.34 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.457 179.459 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -65.36 -38.68 90.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.802 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -73.24 -37.35 66.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.761 179.822 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.58 -30.25 61.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.969 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 21.0 mt -75.6 -30.75 59.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.824 179.876 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -71.81 -29.17 64.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.14 -38.74 78.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -62.7 -39.01 92.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.24 -38.24 88.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.61 -31.9 72.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.05 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -62.35 -32.24 72.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -131.01 83.42 2.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.495 -179.956 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.811 0.339 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.412 ' CZ ' ' HG3' ' D' ' 333' ' ' ARG . 26.3 m-85 -128.25 109.61 11.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -97.98 98.94 10.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 13.7 m -74.25 120.32 19.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.418 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 22.3 tp -107.47 123.97 49.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -98.71 85.81 3.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -83.26 126.64 40.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -98.76 30.94 3.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -126.74 136.68 9.56 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.443 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -74.44 -51.11 15.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -73.96 -47.68 35.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.991 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -56.7 -44.1 81.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.76 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.408 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 12.5 t80 -61.15 -48.09 83.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.38 179.634 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -54.95 -32.96 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.696 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 3.7 ttp -67.01 -57.3 7.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.399 179.576 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.405 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 2.2 m-85 -61.63 -30.74 70.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.709 179.649 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -67.81 -36.84 81.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.231 179.442 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -77.06 -31.76 56.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.271 179.349 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.2 -35.48 63.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.656 179.592 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -71.07 -38.63 72.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.758 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.79 -33.38 72.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.63 -37.39 76.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.046 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.82 -39.84 83.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -64.93 -31.33 72.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.5 mt -71.92 -40.81 68.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -66.66 -31.52 72.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -67.36 -33.44 75.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.12 -31.7 68.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -89.39 -40.25 12.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . 59.98 107.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.498 -179.998 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 10.9 pm0 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.835 0.35 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -96.76 153.08 18.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.408 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 26.1 m-85 -139.9 109.97 6.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 2.4 m -86.53 142.54 28.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.9 tp -141.98 105.95 4.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -87.3 110.4 20.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -115.0 144.86 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.06 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.412 ' HG3' ' CZ ' ' C' ' 327' ' ' TYR . 4.7 ttp180 -98.46 35.69 1.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -130.02 122.52 3.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.449 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -45.98 69.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -71.71 -40.63 69.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.454 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 1.9 tpp180 -59.35 -51.59 69.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.626 179.849 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.418 ' CD2' ' HB2' ' C' ' 330' ' ' LEU . 8.3 t80 -61.0 -44.71 97.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.161 179.501 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -56.84 -32.43 65.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.461 179.57 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.5 ttm -67.03 -59.85 3.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.225 179.398 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.454 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.1 m-85 -59.92 -29.27 68.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.74 179.595 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -67.05 -39.56 86.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.013 179.266 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -76.2 -32.75 59.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.171 179.247 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -30.39 65.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.394 179.413 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -71.43 -48.28 50.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.709 179.737 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -67.9 -31.72 71.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.5 -33.37 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.048 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -72.97 -29.91 63.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 179.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -70.81 -31.17 67.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.95 -36.45 77.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -63.12 -32.57 73.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.84 -33.6 68.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.7 -32.2 60.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -78.61 -32.5 47.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -76.6 -175.47 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.512 -179.966 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.842 0.354 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 60.83 111.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -124.98 110.79 14.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 1.2 p -75.23 119.93 20.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 8.0 tp -106.36 113.47 27.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -99.72 101.56 12.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.62 145.09 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.411 ' HG3' ' CE1' ' B' ' 327' ' ' TYR . 59.8 ttt-85 -98.13 35.04 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -147.12 122.02 1.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -65.02 -31.9 73.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -75.05 -50.61 15.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -56.75 -43.4 80.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 179.842 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -61.1 -46.81 89.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.425 179.673 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -54.71 -34.38 62.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.683 179.671 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.2 ttp -66.59 -58.79 4.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.261 179.465 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -60.08 -28.52 67.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.777 179.625 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -67.61 -36.62 81.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.936 0.398 . . . . 0.0 110.196 179.414 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -78.63 -32.74 47.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.351 179.433 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 81.0 mt -76.15 -29.2 57.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.591 179.589 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -75.6 -40.06 57.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.743 179.812 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -72.9 -34.08 66.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.781 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.61 -31.65 59.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -74.48 -31.61 62.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.752 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -70.2 -31.67 69.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.869 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.56 -33.15 68.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.798 179.906 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -67.1 -37.56 84.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.813 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.78 -41.44 99.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.17 -34.67 75.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -76.7 -31.55 57.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -139.44 113.55 8.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.394 -1.226 . . . . 0.0 112.486 -179.944 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.796 0.332 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' A' ' 333' ' ' ARG . 7.5 m-85 61.86 115.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -129.39 130.69 46.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.6 m -91.65 137.39 32.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.8 tp -133.04 98.63 4.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -81.21 110.85 17.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 22.2 mt -118.45 142.77 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -97.57 37.85 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.36 108.46 0.55 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.453 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -60.78 -31.23 70.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.47 -52.51 18.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -56.11 -41.76 75.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.71 179.817 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -61.96 -47.29 85.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.39 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -54.86 -33.91 62.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.654 179.745 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.3 tpp -66.46 -58.38 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.294 179.507 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -60.15 -30.04 69.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.782 179.633 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.15 -35.87 80.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.162 179.471 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.0 -31.99 39.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.241 179.37 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 17.9 mt -75.9 -30.68 58.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.433 179.531 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -75.47 -42.6 52.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.637 179.727 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -72.52 -31.41 65.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.71 179.779 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.45 -33.01 58.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.996 179.825 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.66 -31.57 63.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.736 179.837 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -69.79 -31.76 69.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 179.862 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 10.7 mt -67.56 -43.52 80.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -60.23 -31.78 70.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.19 -31.5 70.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.93 -40.16 60.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.85 -30.52 26.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -131.4 137.3 48.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.502 179.989 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 10.0 pm0 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.812 0.339 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.412 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 9.4 m-85 61.59 114.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -130.44 97.7 4.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 4.1 m -64.78 113.7 3.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.42 HD12 ' CE1' ' D' ' 338' ' ' PHE . 14.2 tp -122.65 111.58 16.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -91.24 83.81 5.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -78.27 128.11 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.446 ' CD ' ' CE1' ' D' ' 327' ' ' TYR . 10.7 ttp180 -94.16 71.88 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -174.28 112.13 0.4 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.448 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.5 -31.46 70.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -76.96 -57.86 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -55.25 -40.65 71.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.721 179.801 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -63.12 -45.68 90.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.368 179.563 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -55.01 -35.05 63.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.634 179.706 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -66.09 -58.98 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.251 179.462 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.443 ' CD2' ' CD1' ' D' ' 341' ' ' PHE . 3.6 m-85 -61.27 -29.63 69.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.746 179.625 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -69.0 -36.56 77.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.199 179.356 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.69 -31.67 41.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.176 179.277 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.84 -30.2 58.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.538 179.513 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -75.15 -42.0 57.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.717 179.793 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.29 -31.85 66.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.748 179.863 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.46 -32.75 60.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.944 179.869 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.82 -34.13 66.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.746 179.838 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -68.15 -31.03 70.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.6 mt -66.11 -42.11 89.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -60.93 -31.81 71.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.54 -33.64 69.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.91 -34.83 66.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -71.16 -31.58 67.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.08 106.85 13.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.337 -1.257 . . . . 0.0 112.491 179.993 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.786 0.327 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.446 ' CE1' ' CD ' ' C' ' 333' ' ' ARG . 8.1 m-85 60.34 98.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -103.34 115.85 31.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.79 129.72 40.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 40.0 tp -133.13 108.5 8.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.15 114.58 26.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -111.35 134.73 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.412 ' HG3' ' CE2' ' C' ' 327' ' ' TYR . 2.2 ttm105 -93.59 61.97 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -170.79 128.94 1.7 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.39 -30.2 61.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.75 0.31 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -77.27 -50.37 13.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.418 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -56.19 -45.99 79.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.67 179.849 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.42 ' CE1' HD12 ' C' ' 330' ' ' LEU . 10.2 t80 -61.47 -46.69 88.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.242 179.538 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.11 -33.49 62.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.599 179.729 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.7 ttm -66.46 -58.95 4.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.252 179.51 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.443 ' CD1' ' CD2' ' C' ' 341' ' ' PHE . 4.5 m-85 -60.39 -29.75 69.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.709 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.7 -36.29 78.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.949 0.405 . . . . 0.0 110.132 179.451 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -79.42 -31.96 42.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.122 179.314 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.88 -32.35 63.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.34 179.438 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -72.08 -45.22 61.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.637 179.757 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.27 -30.76 63.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.62 179.708 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.21 -28.14 53.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.894 179.722 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 2.0 mt -75.79 -36.94 59.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.789 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.51 -26.46 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.74 -42.48 61.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.046 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.63 -27.55 66.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.023 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -72.82 -33.29 66.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.41 -31.05 48.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.083 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -84.88 -31.37 23.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -95.15 124.64 39.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.498 -179.973 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.771 0.32 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 61.25 113.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -123.63 150.74 43.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.32 110.88 23.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.437 ' CD1' ' CE1' ' B' ' 338' ' ' PHE . 29.7 tp -103.39 109.9 21.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -98.94 116.4 31.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -116.51 151.76 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -98.88 32.32 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.48 124.81 4.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 70.2 ttt-85 -74.65 -50.45 17.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.767 0.318 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -66.52 -41.41 88.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 mmt-85 -58.32 -50.11 74.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.795 179.906 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 342' ' ' ARG . 7.1 t80 -56.24 -43.01 78.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.704 179.906 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -56.17 -39.17 71.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.354 . . . . 0.0 110.48 179.745 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.1 tmm? -66.61 -60.28 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.945 179.163 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -60.71 -22.45 63.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.158 179.605 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 338' ' ' PHE . 2.9 tmm_? -73.29 -34.86 65.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.077 0.465 . . . . 0.0 109.972 179.182 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -76.36 -30.5 57.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.135 179.193 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.83 -38.79 76.65 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.519 179.629 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -68.48 -45.6 71.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.769 179.865 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -70.84 -32.91 70.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.772 179.822 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.74 -33.52 58.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.801 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.76 -28.45 61.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.65 179.833 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -70.03 -30.39 67.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.707 179.71 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.04 -42.72 96.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.801 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -59.94 -44.11 94.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -33.22 74.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.87 -31.15 68.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -67.6 -33.79 75.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.19 33.6 2.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.371 -1.239 . . . . 0.0 112.519 179.985 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.818 0.342 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -128.73 152.88 47.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -139.89 107.36 5.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 2.4 m -72.22 148.25 45.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 18.2 tp -147.03 106.19 3.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.7 83.79 7.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 5.1 mt -81.74 137.75 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -100.44 74.88 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.32 118.0 0.51 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.531 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -61.68 -40.56 95.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -74.61 -41.13 60.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.429 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 1.1 tpp85 -59.43 -51.68 68.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.708 179.903 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.437 ' CE1' ' CD1' ' A' ' 330' ' ' LEU . 6.9 t80 -59.25 -43.02 92.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.353 179.578 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -56.07 -34.21 65.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.49 179.563 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 39.0 ttm -66.84 -61.34 2.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.046 179.328 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.429 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 5.3 m-85 -60.9 -27.88 68.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.679 179.458 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -68.67 -31.85 71.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.029 179.236 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -78.86 -31.35 45.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.307 179.369 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 1.2 mt -72.54 -34.62 67.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.644 179.674 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -72.42 -43.79 63.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.65 179.781 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.58 -31.37 70.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.764 179.766 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.1 -35.8 71.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.991 179.847 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 9.5 mt -68.89 -38.56 79.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.698 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -63.81 -30.0 71.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.79 -32.45 65.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -31.86 72.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.86 -36.63 84.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.39 -31.29 71.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.059 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -80.65 -43.78 19.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.33 168.35 10.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.342 -1.255 . . . . 0.0 112.496 -179.978 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.818 0.342 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -96.01 110.05 22.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -93.03 88.48 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.69 125.9 27.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 23.8 tp -128.08 111.85 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -83.05 104.23 13.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -105.78 149.33 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -110.41 78.05 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.65 105.42 0.19 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -30.0 67.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 111.006 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.7 -63.95 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -54.88 -40.32 69.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -65.18 -38.82 91.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.27 179.648 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -58.66 -38.57 78.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.641 179.788 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttm -64.46 -55.76 18.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.47 179.603 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.407 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 3.0 m-85 -61.59 -31.48 71.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.728 179.796 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -67.28 -34.99 78.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.225 179.532 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -80.31 -31.06 38.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.271 179.375 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.4 mt -77.01 -32.17 56.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.541 179.623 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -75.66 -38.9 58.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.719 179.849 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -73.88 -32.02 63.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.66 179.822 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.75 -32.44 63.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.843 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -72.37 -39.75 67.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.745 179.903 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -66.91 -29.14 68.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.5 mt -70.05 -43.31 71.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -68.16 -29.79 68.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -71.17 -31.59 67.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.8 -31.25 70.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.054 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -87.48 -42.62 12.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.84 -171.49 1.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.358 -1.245 . . . . 0.0 112.488 -179.963 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.855 0.36 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 60.55 110.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -134.18 114.1 12.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 1.3 m -73.07 131.96 42.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 16.4 tp -121.2 106.09 11.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -83.8 99.62 10.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -98.5 117.12 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 15.0 ttt-85 -98.25 36.01 1.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -144.03 125.85 2.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.45 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -65.22 -38.41 90.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.35 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -73.31 -51.89 15.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.6 ttm105 -56.1 -40.04 73.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.749 179.853 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -61.85 -48.47 80.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.439 179.668 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.97 -34.18 59.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.709 179.715 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 4.4 mtp -66.5 -58.64 4.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.362 179.443 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.407 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 3.0 m-85 -60.44 -29.19 68.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.698 179.573 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -67.8 -38.42 83.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.181 179.445 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -76.75 -32.59 57.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.304 179.38 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.89 -29.98 62.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.496 179.595 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -73.46 -43.44 60.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.695 179.846 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -71.35 -31.2 67.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.726 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.05 -34.49 59.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.02 179.861 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -72.65 -30.75 64.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.8 179.861 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.5 -29.8 66.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.805 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.15 -38.42 88.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -33.62 73.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -69.02 -39.1 79.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.27 -32.93 72.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -69.87 -31.38 69.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.53 116.82 16.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.545 -179.999 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . 0.417 ' HG2' ' CZ ' ' A' ' 328' ' ' PHE . 2.5 tt0 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.875 0.369 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -104.19 152.89 21.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.417 ' CZ ' ' HG2' ' A' ' 326' ' ' GLU . 48.4 m-85 -142.68 102.87 4.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 3.9 m -77.85 107.63 10.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.433 ' CD1' ' CE1' ' B' ' 338' ' ' PHE . 13.1 tp -100.32 108.37 20.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -95.71 121.37 37.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -118.62 152.73 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.406 ' HB2' ' CE1' ' B' ' 327' ' ' TYR . 0.8 OUTLIER -104.76 36.87 2.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.84 133.12 5.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -70.44 -61.9 1.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.31 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.79 -34.24 72.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 1.0 OUTLIER -60.32 -52.68 64.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.712 179.886 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -58.78 -46.02 88.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.344 179.604 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -55.82 -32.73 63.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.448 179.534 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.0 ttm -66.77 -60.65 2.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.167 179.338 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.437 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 5.1 m-85 -60.34 -28.83 68.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.619 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -34.03 74.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.947 0.403 . . . . 0.0 110.133 179.33 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.87 -31.99 51.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.293 179.342 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 1.4 mp -72.72 -36.38 67.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.512 179.598 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -69.85 -42.18 73.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.647 179.807 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -72.93 -38.32 66.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.624 179.716 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.27 -27.62 59.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.815 179.718 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 40.0 tp -76.52 -31.03 57.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.796 179.855 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -74.38 -31.61 62.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 mt -70.04 -32.52 70.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.901 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -64.92 -32.41 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.32 -31.41 72.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.12 -43.98 60.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -29.7 35.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -90.64 -63.9 1.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.076 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.425 -1.209 . . . . 0.0 112.475 -179.961 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.818 0.342 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.406 ' CE1' ' HB2' ' A' ' 333' ' ' ARG . 12.6 m-85 -129.06 151.91 49.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.421 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 5.0 m-85 -130.28 131.83 45.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.5 145.62 28.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -137.6 88.03 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -66.1 83.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.7 mt -93.08 152.55 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.05 39.41 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.36 113.44 1.06 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.464 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.411 ' HG3' ' CZ ' ' A' ' 328' ' ' PHE . 1.7 ttt-85 -68.47 -37.09 79.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.721 0.296 . . . . 0.0 111.007 -179.92 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -68.95 -58.71 3.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.949 -179.9 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -55.04 -45.99 75.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 0.0 110.772 179.859 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.433 ' CE1' ' CD1' ' A' ' 330' ' ' LEU . 3.9 t80 -60.5 -39.65 88.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.423 179.56 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.74 -39.9 78.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.695 179.762 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.8 ttm -63.48 -55.55 23.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.429 179.562 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.429 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 3.1 m-85 -61.0 -33.47 73.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.777 179.707 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -66.04 -33.44 75.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.276 179.513 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -80.14 -32.02 38.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.327 179.412 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 68.4 mt -76.46 -32.21 58.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.558 179.623 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -74.45 -39.24 62.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.505 179.699 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -74.5 -38.63 62.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.544 179.691 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.74 -27.59 60.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.793 179.575 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 8.2 tp -75.36 -33.71 61.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.661 179.815 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.83 -29.06 65.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.808 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.65 -44.61 61.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -66.77 -30.37 70.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.799 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -69.33 -31.32 69.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.6 -31.22 68.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.053 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -71.03 -43.69 67.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -66.26 -39.07 89.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.507 -179.982 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.787 0.327 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -96.88 110.66 23.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -98.04 91.47 5.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.58 122.24 20.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.409 HD12 ' CE2' ' D' ' 338' ' ' PHE . 20.2 tp -108.98 116.05 31.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -98.6 85.5 3.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -85.3 142.6 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -98.63 33.51 2.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.34 121.21 3.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.445 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -60.26 -46.46 89.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.94 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.79 -47.7 44.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.401 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 3.1 ttm180 -56.78 -44.08 81.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.785 179.91 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.414 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 11.8 t80 -60.57 -47.41 86.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.49 179.645 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.62 -33.99 61.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.604 179.77 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -66.56 -58.63 4.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.329 179.502 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.477 ' CD2' ' CD1' ' D' ' 341' ' ' PHE . 2.5 m-85 -64.06 -29.35 70.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.797 179.693 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.403 ' HG3' ' CE1' ' C' ' 338' ' ' PHE . 2.3 tmt_? -73.6 -34.14 64.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.2 179.422 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -81.57 -31.93 32.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.266 179.334 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 11.2 mt -77.94 -29.44 49.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.565 179.52 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -77.61 -38.83 47.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.601 179.751 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -72.99 -31.12 64.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.755 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.62 -35.47 60.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.002 179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 12.1 mt -72.36 -32.0 66.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.742 179.888 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.4 -31.61 70.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.754 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -71.43 -42.98 67.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.76 -31.24 72.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -67.61 -31.58 71.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.04 -31.22 69.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -90.09 -42.46 11.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.8 129.91 44.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.41 -1.217 . . . . 0.0 112.469 -179.953 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.822 0.344 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 60.43 110.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.414 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 7.4 m-85 -131.91 139.13 48.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.44 144.99 31.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 17.0 tp -149.33 102.19 3.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -66.05 84.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -82.36 115.01 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -84.45 106.88 16.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 141.34 122.38 1.83 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -68.48 -30.67 69.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.05 -47.17 53.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 8.1 mtm180 -57.41 -43.16 83.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.712 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.409 ' CE2' HD12 ' C' ' 330' ' ' LEU . 12.3 t80 -60.59 -47.7 85.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.44 179.705 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -54.2 -34.1 59.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.603 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.7 ttm -66.39 -59.26 3.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.266 179.468 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.477 ' CD1' ' CD2' ' C' ' 341' ' ' PHE . 4.3 m-85 -60.45 -29.42 69.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.774 179.62 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.49 -34.95 76.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.987 0.422 . . . . 0.0 110.196 179.446 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.3 -31.04 38.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.219 179.299 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.6 mp -76.09 -32.54 59.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.473 179.572 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -75.53 -41.51 54.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.612 179.805 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -73.61 -29.89 62.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.719 179.774 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.97 -31.75 56.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.996 179.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.74 -31.23 56.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.778 179.901 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -73.77 -29.86 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.777 179.794 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 7.3 mt -72.92 -42.0 63.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -67.16 -30.53 70.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.65 -31.32 70.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.68 -38.53 70.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -77.01 -39.5 50.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.9 -65.59 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.518 179.991 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 1.5 mm-40 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.858 0.361 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -88.5 117.87 27.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 326' ' ' GLU . 29.6 m-85 -105.16 127.89 53.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 2.7 m -93.53 152.89 18.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.2 tp -152.07 101.7 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -81.24 86.75 6.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mt -82.32 149.68 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -107.41 86.03 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 162.84 118.5 0.46 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -31.29 72.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.311 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -75.33 -47.97 25.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -57.09 -45.13 83.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.639 179.876 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.409 ' CE1' ' HD2' ' A' ' 342' ' ' ARG . 11.9 t80 -60.84 -47.21 87.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.389 179.604 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.8 -34.15 62.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.689 179.666 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.6 tpp -66.29 -58.01 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.317 179.541 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.427 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 3.4 m-85 -60.09 -30.44 69.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.759 179.66 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.409 ' HD2' ' CE1' ' A' ' 338' ' ' PHE . 10.6 ttt85 -66.66 -36.36 82.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.217 179.464 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -79.34 -31.68 43.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.287 179.388 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 2.3 mp -76.56 -31.89 57.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.48 179.576 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -73.91 -39.71 63.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.655 179.701 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -72.39 -37.13 68.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.663 179.836 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.17 -30.92 63.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.855 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.38 -33.54 65.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.76 179.886 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -68.45 -31.01 70.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -39.73 91.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -59.31 -32.11 69.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.975 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.22 -31.12 54.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -79.7 -31.4 41.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.68 -30.9 18.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -94.62 -171.47 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.414 -1.215 . . . . 0.0 112.517 179.982 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.806 0.336 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 63.19 141.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -155.69 115.55 3.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.92 138.66 46.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.2 tp -131.81 106.69 8.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -103.19 121.09 41.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mt -125.24 150.64 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.097 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -99.43 33.71 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.99 128.23 3.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.37 -32.2 66.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.26 -48.01 38.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -57.37 -44.07 84.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.704 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -60.24 -46.58 89.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.434 179.682 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -54.14 -35.49 62.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.695 179.701 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.29 -58.89 4.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.269 179.506 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.427 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 3.3 m-85 -60.88 -28.06 68.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.723 179.597 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -68.44 -33.75 74.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.269 179.432 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.47 -33.04 36.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.324 179.49 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 3.6 mp -77.83 -30.58 51.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.523 179.605 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -76.69 -36.24 57.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.772 179.796 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -76.32 -30.37 57.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.85 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.12 -30.1 49.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.991 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.53 -34.76 53.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 179.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -74.65 -29.68 61.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 5.8 mt -73.64 -32.03 63.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -69.89 -31.58 69.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -70.33 -30.99 68.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.39 -40.19 85.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -75.22 -30.88 60.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -134.72 78.19 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.422 -1.21 . . . . 0.0 112.502 -179.973 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.83 0.348 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 61.99 116.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.437 ' N ' ' CD1' ' C' ' 328' ' ' PHE . 3.5 m-85 -127.16 101.5 6.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.68 143.75 44.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.4 tp -151.76 110.26 3.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -95.75 128.14 42.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -127.07 151.8 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.75 35.57 2.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.01 124.84 4.09 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.444 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -75.85 -35.18 60.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.791 0.329 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -77.1 -42.23 38.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.445 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -59.67 -52.64 64.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.572 179.851 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.412 ' CE1' HD11 ' D' ' 330' ' ' LEU . 6.1 t80 -59.91 -42.29 93.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.117 179.512 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -55.91 -35.02 66.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.471 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.8 ttm -66.47 -61.02 2.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.074 179.35 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.486 ' CD1' ' CD2' ' D' ' 341' ' ' PHE . 6.6 m-85 -58.79 -26.35 63.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.825 179.498 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -37.09 81.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.891 0.377 . . . . 0.0 110.149 179.375 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.54 -32.48 53.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.403 179.422 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 82.1 mt -75.59 -30.78 59.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.602 179.641 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -73.57 -40.06 64.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.662 179.764 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -69.51 -36.3 76.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.758 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.71 -35.78 72.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.012 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -68.52 -34.7 76.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.756 179.884 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.87 -31.89 73.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.46 -36.72 68.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -67.44 -31.55 71.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -66.0 -32.05 73.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.22 -31.91 70.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -86.37 -38.18 17.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -133.58 109.23 9.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.428 -1.206 . . . . 0.0 112.534 -179.986 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.844 0.355 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -100.14 152.89 19.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -144.25 109.53 5.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 1.8 m -75.94 138.6 41.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.412 HD11 ' CE1' ' C' ' 338' ' ' PHE . 23.8 tp -132.57 117.21 17.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 -99.42 84.02 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -81.43 122.27 36.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.13 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 36.4 ptt85 -97.78 37.64 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.79 133.65 6.64 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -64.24 -66.15 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.775 0.322 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -59.68 -38.46 81.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.455 ' HG2' ' CE1' ' D' ' 341' ' ' PHE . 14.9 ttp-105 -59.26 -51.68 68.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.565 179.769 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -62.69 -47.64 82.76 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.23 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -55.77 -30.92 62.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.393 179.383 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 4.3 ttm -66.81 -59.67 3.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.306 179.45 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.486 ' CD2' ' CD1' ' C' ' 341' ' ' PHE . 2.5 m-85 -60.62 -30.02 69.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.709 179.585 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -39.68 80.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.342 179.499 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.35 -30.44 48.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.274 179.414 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.74 -31.35 52.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.509 179.65 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -77.73 -40.25 41.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.574 179.728 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -76.35 -30.36 57.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.614 179.667 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.37 -31.23 42.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.763 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 7.7 mt -76.8 -31.12 56.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.601 179.791 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -71.47 -30.35 65.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.816 179.771 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.61 -37.1 84.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 179.886 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -60.29 -35.29 75.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -68.1 -31.67 71.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.53 -41.59 65.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -71.9 -32.23 67.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -76.25 -39.01 55.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.501 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.861 0.362 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -141.27 96.2 2.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.424 ' CG2' HG22 ' B' ' 329' ' ' THR . 3.2 m -70.97 117.18 12.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.64 HD13 ' CE2' ' B' ' 338' ' ' PHE . 47.6 tp -112.4 102.23 10.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -73.19 113.72 10.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.478 HD11 ' CD2' ' A' ' 330' ' ' LEU . 23.5 mm -104.46 140.18 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.408 ' HG2' ' CE2' ' B' ' 327' ' ' TYR . 83.1 mtt180 -113.96 38.48 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.446 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -151.2 135.75 5.24 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.434 ' HD2' ' CZ ' ' B' ' 328' ' ' PHE . 4.6 tpt180 -75.82 -37.22 59.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -76.26 -52.0 10.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.421 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 6.7 ttm180 -56.15 -43.75 78.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.778 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.408 ' CE1' HD13 ' B' ' 330' ' ' LEU . 10.6 t80 -61.87 -46.43 89.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.38 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -55.2 -33.8 63.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.653 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.5 ttm -66.41 -58.62 4.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.326 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.421 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.7 m-85 -59.93 -29.48 68.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.782 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -35.09 79.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.172 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -79.7 -32.78 41.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.254 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.903 HD21 HD11 ' D' ' 344' ' ' LEU . 0.8 OUTLIER -75.25 -31.01 60.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.433 179.529 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -73.7 -42.23 61.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.68 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -71.25 -33.5 69.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.691 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.409 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -72.72 -31.22 64.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.822 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.2 mm? -71.86 -39.47 69.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -65.53 -31.43 72.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.9 -32.24 69.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.785 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -65.96 -31.5 72.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -62.72 -31.64 72.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.24 -31.25 67.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.408 ' CE2' ' HG2' ' A' ' 333' ' ' ARG . 5.9 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.801 0.334 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.434 ' CZ ' ' HD2' ' A' ' 335' ' ' ARG . 18.4 m-85 -142.94 93.48 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.424 HG22 ' CG2' ' A' ' 329' ' ' THR . 0.2 OUTLIER -63.41 117.68 7.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.803 HD23 HD11 ' B' ' 332' ' ' ILE . 9.4 tp -113.59 113.73 25.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -97.19 128.02 43.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.803 HD11 HD23 ' B' ' 330' ' ' LEU . 3.8 mp -135.71 145.74 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 -98.29 35.53 1.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.27 106.31 0.67 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -62.05 -31.97 72.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.34 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -74.4 -50.96 16.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.416 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 4.9 ttm180 -56.7 -41.53 77.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.748 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.64 ' CE2' HD13 ' A' ' 330' ' ' LEU . 11.7 t80 -61.9 -47.3 85.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.428 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -54.35 -35.06 62.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.645 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.5 ttm -65.36 -58.47 5.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.272 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.416 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 5.4 m-85 -58.47 -30.75 67.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.714 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -63.93 -37.92 89.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.163 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -76.84 -33.59 57.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.225 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.868 HD21 HD21 ' C' ' 344' ' ' LEU . 0.7 OUTLIER -72.61 -32.64 66.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.327 179.469 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -69.48 -45.05 69.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.667 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -70.94 -29.4 65.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.834 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.0 -29.22 55.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.739 HD13 ' HD3' ' B' ' 351' ' ' LYS . 1.6 mm? -75.77 -36.12 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -70.92 -29.45 65.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.781 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.02 -44.18 55.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.779 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.739 ' HD3' HD13 ' B' ' 348' ' ' LEU . 14.2 ptmm? -69.79 -30.32 67.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -73.85 -31.31 63.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.1 -34.6 73.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.067 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.405 ' O ' ' CD1' ' C' ' 328' ' ' PHE . 94.1 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.798 0.333 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' C' ' 327' ' ' TYR . 13.0 m-85 -138.38 107.98 6.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 6.0 m -76.65 129.87 36.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' C' ' 330' ' ' LEU . 15.4 tp -129.28 105.92 8.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -84.89 124.87 32.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.421 HG21 ' HB3' ' C' ' 337' ' ' ARG . 3.8 mp -116.52 117.87 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.428 ' HB3' ' CZ ' ' D' ' 327' ' ' TYR . 0.2 OUTLIER -68.99 -30.39 68.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -80.11 128.97 8.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.459 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 9.4 ttp85 -71.93 -36.62 69.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.766 0.317 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.15 -47.75 60.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.421 ' HB3' HG21 ' C' ' 332' ' ' ILE . 6.2 ttm180 -57.29 -42.1 81.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.772 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.44 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 12.8 t80 -60.89 -47.8 84.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.488 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -54.42 -34.85 62.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.782 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.8 ttm -66.05 -56.89 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.388 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -61.16 -31.21 70.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.632 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.402 ' HG3' ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -65.77 -33.03 74.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.203 179.426 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -75.95 -35.36 59.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.381 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.868 HD21 HD21 ' B' ' 344' ' ' LEU . 2.4 mp -72.66 -38.86 67.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.45 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.417 ' OD1' HG23 ' D' ' 332' ' ' ILE . 21.0 t30 -66.84 -36.24 81.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.497 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.72 -47.4 63.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.628 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.715 ' HB2' ' HD2' ' B' ' 351' ' ' LYS . . . -65.61 -28.87 69.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.654 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.888 HD22 ' HG2' ' D' ' 337' ' ' ARG . 7.1 tp -68.9 -39.91 79.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.755 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.98 -33.56 75.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.3 mp -66.55 -38.86 88.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.805 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -60.22 -36.05 76.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -62.31 -37.98 87.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.46 -31.0 70.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.938 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.428 ' CZ ' ' HB3' ' C' ' 333' ' ' ARG . 10.2 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.768 0.318 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.44 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 30.2 m-85 -140.44 119.39 12.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.37 121.85 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 16.4 tp -124.44 107.42 11.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -80.68 125.04 29.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.417 HG23 ' OD1' ' C' ' 345' ' ' ASN . 4.7 mt -127.34 137.18 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.049 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 28.4 ttp85 -98.1 36.21 1.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.67 115.49 1.71 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.504 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -40.03 94.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.75 0.309 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.98 -47.7 24.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.888 ' HG2' HD22 ' C' ' 348' ' ' LEU . 2.0 tpt180 -57.35 -48.63 78.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.714 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -62.56 -45.21 93.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.081 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -56.18 -32.65 64.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.45 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.2 ttm -66.25 -60.25 2.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.184 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.551 ' HE2' HD22 ' C' ' 344' ' ' LEU . 6.6 m-85 -59.0 -29.88 67.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.804 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -37.53 85.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.094 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.15 -31.18 49.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.237 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.903 HD11 HD21 ' A' ' 344' ' ' LEU . 1.0 OUTLIER -74.41 -30.45 61.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.519 179.607 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -74.32 -44.07 54.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.684 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -71.67 -30.89 66.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.793 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.409 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -76.88 -31.46 56.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.057 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.469 HD23 ' O ' ' D' ' 344' ' ' LEU . 1.9 mm? -75.02 -31.9 61.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.764 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -71.83 -33.12 68.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 19.1 mt -69.78 -37.25 76.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -64.55 -31.31 72.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.53 -33.0 74.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.96 -31.16 71.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.913 0.387 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.417 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 13.2 m-85 -134.07 84.01 2.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.24 101.42 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.596 HD12 ' CE2' ' B' ' 338' ' ' PHE . 5.1 tt -101.73 124.34 47.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.592 ' HG3' HG22 ' B' ' 329' ' ' THR . 1.7 mp0 -105.91 136.17 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.559 HD11 HD22 ' A' ' 330' ' ' LEU . 3.7 mp -130.31 151.42 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -100.4 31.75 3.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -139.71 129.38 4.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.86 -34.59 69.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.758 0.314 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -75.22 -39.21 60.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.454 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 1.8 tpp180 -59.86 -52.21 66.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.683 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.492 ' CD1' HD12 ' B' ' 330' ' ' LEU . 7.6 t80 -59.78 -43.84 94.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.221 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -55.92 -34.79 65.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.553 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 4.7 ttp -65.64 -59.73 3.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.25 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.454 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 6.1 m-85 -59.06 -28.86 66.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.773 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -36.16 82.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.138 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -78.64 -31.53 46.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.396 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.628 ' O ' HD12 ' A' ' 348' ' ' LEU . 86.0 mt -77.36 -30.32 53.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.622 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -75.69 -37.94 59.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.713 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.27 -36.04 66.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.689 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.54 -31.85 67.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.797 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.8 OUTLIER -70.54 -41.62 72.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.571 179.699 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -72.62 -25.07 61.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.538 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.429 ' HA ' HD12 ' A' ' 350' ' ' LEU . 8.9 tp -74.07 -36.84 64.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.868 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -72.34 -29.29 63.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -72.15 -31.3 65.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.917 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.19 -31.67 72.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.06 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.809 0.337 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -148.14 142.23 26.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.592 HG22 ' HG3' ' A' ' 331' ' ' GLN . 0.7 OUTLIER -102.43 146.75 27.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.492 HD12 ' CD1' ' A' ' 338' ' ' PHE . 6.9 tt -143.02 94.84 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -61.02 121.67 13.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mt -121.79 112.3 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 11.8 ttt85 -96.8 39.19 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -142.06 129.97 4.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.448 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.94 -66.26 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.792 0.33 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.66 -38.01 80.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.827 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.474 ' HG2' ' CE2' ' B' ' 341' ' ' PHE . 29.2 ttm180 -60.4 -53.52 56.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.529 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.596 ' CE2' HD12 ' A' ' 330' ' ' LEU . 7.8 t80 -61.85 -44.26 97.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.987 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -57.63 -31.56 66.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.432 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.4 ttp -67.59 -59.34 3.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.327 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.474 ' CE2' ' HG2' ' B' ' 337' ' ' ARG . 1.8 m-85 -63.3 -28.24 69.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.702 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -37.58 65.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.386 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 343' ' ' GLU . . . . . 0.677 ' OE2' HD21 ' C' ' 348' ' ' LEU . 3.0 tm-20 -79.17 -32.15 44.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.277 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.764 HD11 HD21 ' C' ' 344' ' ' LEU . 0.5 OUTLIER -77.45 -30.55 53.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.52 179.62 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -76.11 -37.68 57.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.709 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -31.02 63.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.705 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.522 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -74.36 -35.37 63.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.062 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.741 HD23 ' O ' ' B' ' 344' ' ' LEU . 2.7 mm? -72.34 -35.14 68.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.747 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -69.44 -31.49 69.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.811 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mt -66.55 -35.72 80.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -36.42 77.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.47 -35.38 80.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.05 -39.61 72.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.926 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.437 ' CE1' ' HG2' ' D' ' 333' ' ' ARG . 5.9 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.762 0.315 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -138.58 115.52 10.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 7.8 m -71.08 124.67 24.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 54.3 tp -131.21 119.4 21.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -104.97 123.86 48.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.524 HG23 ' ND2' ' D' ' 345' ' ' ASN . 3.6 mp -120.78 131.65 72.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -88.12 76.15 8.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.42 119.98 0.6 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.442 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.7 ttt85 -67.35 -31.04 71.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -74.54 -51.61 14.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -56.46 -41.86 77.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.717 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -61.95 -47.01 86.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.377 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -54.75 -34.26 62.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.641 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.511 ' O ' HD12 ' C' ' 344' ' ' LEU . 6.1 mtm -66.43 -58.6 4.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.313 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -59.6 -29.12 67.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.746 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -37.86 85.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.145 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -78.49 -32.16 48.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.274 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.764 HD21 HD11 ' B' ' 344' ' ' LEU . 2.2 mp -75.36 -30.38 60.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.51 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.501 HD21 HD12 ' D' ' 332' ' ' ILE . 21.2 m-20 -73.99 -41.97 61.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.713 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.08 -31.45 62.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.709 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.495 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -78.64 -30.81 46.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.956 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.831 HD13 ' CG ' ' D' ' 337' ' ' ARG . 3.1 mt -77.57 -29.18 51.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.815 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -74.76 -31.13 61.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.809 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.3 mt -69.47 -34.91 75.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.522 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 9.2 mttm -63.59 -31.52 72.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -62.05 -31.97 72.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.13 72.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.07 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.804 0.335 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -133.99 91.92 2.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.75 148.34 47.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 21.9 tp -160.43 98.65 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -67.48 102.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.501 HD12 HD21 ' C' ' 345' ' ' ASN . 27.3 mm -82.25 131.13 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.437 ' HG2' ' CE1' ' C' ' 327' ' ' TYR . 3.5 tmt_? -96.74 77.21 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 160.72 127.87 0.92 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -31.03 69.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.337 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -75.83 -51.84 11.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.831 ' CG ' HD13 ' C' ' 348' ' ' LEU . 7.4 mtm180 -56.64 -43.74 80.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.674 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -61.45 -45.83 92.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.403 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.25 -34.67 64.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.648 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.485 ' O ' HD12 ' D' ' 344' ' ' LEU . 21.9 ttm -66.44 -58.27 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.334 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -61.72 -29.53 70.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.664 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -68.26 -33.45 74.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.247 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -81.12 -32.91 33.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.287 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.815 ' O ' HD23 ' D' ' 348' ' ' LEU . 2.7 mp -77.67 -31.02 52.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.457 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.524 ' ND2' HG23 ' C' ' 332' ' ' ILE . 62.8 t-20 -75.68 -37.93 59.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.614 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.527 ' O ' HD12 ' D' ' 350' ' ' LEU . 21.7 mt-10 -72.27 -35.72 68.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.666 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.96 -33.93 70.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.815 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.6 mm? -70.03 -38.65 75.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.75 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -64.74 -31.03 72.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.527 HD12 ' O ' ' D' ' 346' ' ' GLU . 0.6 OUTLIER -65.04 -43.23 93.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -59.95 -37.41 79.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -70.56 -31.92 69.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.37 -31.31 62.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' B' ' 333' ' ' ARG . 66.1 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.768 0.318 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -107.39 105.16 14.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.17 149.3 49.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 18.4 tp -153.13 113.92 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -90.33 109.95 21.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -110.01 145.25 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -98.7 77.35 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 174.05 111.39 0.27 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 22.8 ptt-85 -61.49 -33.31 73.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.341 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -72.78 -42.75 63.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.75 ' HG3' HD23 ' B' ' 348' ' ' LEU . 7.0 ttm180 -58.61 -50.58 73.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.731 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.831 ' CE1' HD13 ' B' ' 330' ' ' LEU . 7.2 t80 -58.32 -43.26 88.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.378 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -54.81 -35.39 63.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.591 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.492 ' O ' HD12 ' A' ' 344' ' ' LEU . 9.3 mmm -66.32 -61.04 2.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.104 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -60.39 -27.28 67.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.716 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -33.41 74.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.978 0.418 . . . . 0.0 110.062 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.08 -31.44 34.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.24 179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.499 HD21 HD21 ' D' ' 344' ' ' LEU . 3.7 mp -76.61 -31.76 57.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.534 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -76.08 -40.65 52.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.672 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -73.87 -30.83 62.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.658 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.631 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -75.33 -31.18 60.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.576 HD13 ' CG ' ' B' ' 337' ' ' ARG . 8.6 mt -74.02 -38.41 64.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.754 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.04 -31.71 70.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.801 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 9.0 mt -67.43 -34.45 77.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.64 -33.9 74.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.798 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.02 -36.97 85.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.98 -31.32 69.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.093 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -107.24 110.55 22.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.59 152.96 42.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.831 HD13 ' CE1' ' A' ' 338' ' ' PHE . 61.6 tp -153.59 115.83 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.89 115.66 25.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.459 HD11 ' CD2' ' B' ' 330' ' ' LEU . 29.8 mm -101.05 115.2 42.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.433 ' HB3' ' CE2' ' A' ' 327' ' ' TYR . 4.6 ptm180 -86.47 69.34 10.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 164.53 121.92 0.58 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -28.37 67.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.722 0.296 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.12 -51.38 12.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.576 ' CG ' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -55.93 -46.02 78.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.687 179.831 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -60.79 -45.52 94.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.371 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -55.6 -35.2 65.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.676 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 5.0 ttp -67.64 -58.43 4.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.248 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -62.62 -25.98 68.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.7 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -71.91 -40.57 68.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.197 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -76.58 -30.67 57.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.316 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.778 ' O ' HD13 ' B' ' 348' ' ' LEU . 71.0 mt -76.63 -31.68 57.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.602 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -72.29 -39.22 68.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.509 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -69.09 -42.56 76.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.671 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.82 -26.23 62.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.778 HD13 ' O ' ' B' ' 344' ' ' LEU . 4.0 mp -74.93 -31.46 61.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.822 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -70.0 -31.0 68.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 10.1 mt -71.0 -45.6 63.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -31.28 71.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -70.39 -31.5 68.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.06 -31.3 61.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.793 0.33 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -153.81 97.54 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.2 m -68.72 143.55 54.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 1.035 HD23 HD11 ' C' ' 332' ' ' ILE . 14.7 tp -143.33 115.07 8.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -94.13 84.15 4.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 1.035 HD11 HD23 ' C' ' 330' ' ' LEU . 3.8 mp -92.04 129.28 42.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.58 32.57 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.512 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -118.41 114.58 2.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -50.58 72.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.326 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -70.08 -41.49 74.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.807 ' CD ' HD13 ' D' ' 348' ' ' LEU . 1.5 tpp85 -59.31 -51.53 69.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.702 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.657 ' CE2' HD13 ' D' ' 330' ' ' LEU . 7.2 t80 -59.74 -43.3 94.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.268 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.78 -35.1 65.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.548 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.1 mmm -66.05 -60.13 3.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.162 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.456 ' CD2' ' CD1' ' D' ' 341' ' ' PHE . 5.4 m-85 -60.08 -27.81 67.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.694 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.6 ttp85 -67.63 -33.73 75.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.201 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -81.1 -31.61 34.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.339 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.765 ' O ' HD23 ' C' ' 348' ' ' LEU . 7.1 mt -78.48 -30.19 47.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.596 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -77.64 -36.97 50.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.677 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.452 ' O ' HD23 ' C' ' 350' ' ' LEU . 12.0 tt0 -75.16 -31.72 61.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.774 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.79 -31.91 57.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.765 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.7 mm? -75.53 -33.25 60.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.77 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -73.01 -33.24 65.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.452 HD23 ' O ' ' C' ' 346' ' ' GLU . 2.7 mm? -70.57 -31.6 68.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -67.13 -31.67 72.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.66 -31.37 72.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.51 -41.58 84.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.05 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.777 0.323 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -88.07 97.72 11.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.53 140.28 46.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.657 HD13 ' CE2' ' C' ' 338' ' ' PHE . 10.6 tp -136.23 115.35 12.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -96.75 86.09 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.561 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.7 mp -76.74 137.18 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.29 34.35 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -144.14 140.18 9.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.466 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -74.1 -56.74 4.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -62.74 -35.91 81.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.478 ' HB3' HG21 ' D' ' 332' ' ' ILE . 0.0 OUTLIER -60.58 -53.34 58.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.602 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.755 ' CE2' HD13 ' C' ' 330' ' ' LEU . 8.3 t80 -61.1 -45.12 96.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.052 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -56.59 -32.45 65.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.343 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.5 ttp -66.61 -60.67 2.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.139 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.466 ' CE2' ' HG3' ' D' ' 337' ' ' ARG . 5.0 m-85 -59.39 -29.41 67.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.97 -39.6 83.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.134 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -76.55 -29.86 56.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.156 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.499 HD21 HD21 ' A' ' 344' ' ' LEU . 1.1 mp -74.54 -37.08 63.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.502 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -69.45 -39.23 77.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.786 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -75.74 -31.13 59.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.731 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.631 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -79.61 -31.63 41.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.807 HD13 ' CD ' ' C' ' 337' ' ' ARG . 1.5 mt -77.96 -28.1 49.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.769 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -75.65 -29.84 59.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.778 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 8.6 mt -72.11 -39.77 68.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.553 ' HD3' HD23 ' D' ' 348' ' ' LEU . 0.3 OUTLIER -70.45 -32.84 70.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.2 -31.63 67.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.24 -31.16 69.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.851 0.358 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -150.03 114.61 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.18 152.89 31.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.512 ' HG ' HD11 ' A' ' 332' ' ' ILE . 6.8 tp -142.86 103.75 4.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.413 ' HB3' ' CD1' ' B' ' 327' ' ' TYR . 22.0 mt-30 -90.17 104.4 16.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.512 HD11 ' HG ' ' A' ' 330' ' ' LEU . 26.9 mm -107.55 103.83 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.425 ' HB2' ' CE1' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -64.14 -31.92 73.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -75.58 132.96 13.77 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -73.41 -40.95 63.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -71.36 -42.78 68.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.752 ' HG3' HD13 ' B' ' 348' ' ' LEU . 0.1 OUTLIER -57.73 -48.91 78.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.776 179.867 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.443 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 11.0 t80 -59.17 -46.23 88.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.415 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -54.81 -34.66 63.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.599 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.421 ' CE ' HD22 ' B' ' 344' ' ' LEU . 5.7 tmm? -65.9 -59.01 4.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.273 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.405 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 5.8 m-85 -58.19 -28.77 65.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.784 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -65.05 -40.0 94.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.059 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -76.37 -32.76 58.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.179 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.841 HD11 HD22 ' D' ' 344' ' ' LEU . 0.1 OUTLIER -72.27 -29.76 64.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.361 179.474 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.08 -47.75 49.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.635 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.482 ' O ' HD23 ' A' ' 350' ' ' LEU . 2.4 tp10 -69.86 -31.18 68.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.767 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.58 -31.39 57.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.067 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.786 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.1 mm? -74.05 -31.29 62.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.78 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -69.24 -32.11 71.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.789 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 346' ' ' GLU . 4.1 mm? -76.47 -32.79 58.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.803 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.544 ' HG3' HD22 ' D' ' 350' ' ' LEU . 2.0 ttpt -73.88 -31.36 63.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -71.07 -31.48 67.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.73 -31.15 70.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.425 ' CE1' ' HB2' ' A' ' 333' ' ' ARG . 13.8 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.827 0.346 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.443 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 20.8 m-85 -98.79 96.88 8.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.3 149.42 33.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 7.4 tp -151.32 107.52 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -80.12 108.53 13.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.542 HG22 ' H ' ' B' ' 334' ' ' GLY . 3.7 mp -99.21 133.76 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.73 30.81 3.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.542 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -137.88 114.3 1.07 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -60.79 -35.7 77.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -74.58 -50.46 17.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.416 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 5.4 ttm180 -56.83 -42.74 80.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.773 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -61.48 -46.6 89.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.395 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -54.58 -34.7 62.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.727 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -65.76 -58.25 6.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.338 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.586 ' HE2' HD22 ' A' ' 344' ' ' LEU . 5.2 m-85 -60.03 -30.77 69.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.715 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -33.34 75.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.969 0.414 . . . . 0.0 110.168 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -81.97 -30.92 31.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.291 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.537 HD21 ' CG ' ' C' ' 344' ' ' LEU . 0.9 OUTLIER -78.81 -30.2 45.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.616 179.581 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -79.24 -37.67 37.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.578 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -77.17 -30.58 54.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.647 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.428 ' HB2' ' CE ' ' C' ' 351' ' ' LYS . . . -79.1 -30.84 44.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.752 HD13 ' HG3' ' A' ' 337' ' ' ARG . 9.2 mt -77.65 -32.04 53.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.706 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.46 -30.35 63.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.741 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.05 -34.31 75.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -63.13 -33.04 74.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.66 -31.52 69.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.13 -38.29 85.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.789 0.328 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.413 ' CZ ' ' HG3' ' D' ' 335' ' ' ARG . 8.3 m-85 -101.24 111.32 23.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.2 m -76.33 114.05 14.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.698 HD13 ' CE1' ' D' ' 338' ' ' PHE . 18.5 tp -102.62 108.67 20.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -97.97 102.04 13.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.61 HD11 HD23 ' C' ' 330' ' ' LEU . 3.8 mp -102.6 139.48 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.4 34.22 2.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -138.28 119.96 1.9 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.439 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -60.32 -51.64 68.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.781 0.324 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -65.57 -34.89 79.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.878 ' HD2' HD13 ' D' ' 348' ' ' LEU . 0.8 OUTLIER -60.78 -53.1 61.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.76 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -57.86 -43.81 86.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.315 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -55.39 -34.63 64.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.52 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.555 ' O ' HD12 ' C' ' 344' ' ' LEU . 4.3 ttp -66.78 -61.08 2.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.088 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.456 ' CD2' ' CD2' ' D' ' 341' ' ' PHE . 5.9 m-85 -59.56 -26.51 65.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.698 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -67.47 -36.09 80.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.071 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -77.86 -33.0 52.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.242 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.555 HD12 ' O ' ' C' ' 340' ' ' MET . 3.5 mp -72.55 -31.24 65.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.411 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.96 -46.51 57.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.574 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -68.97 -33.57 73.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.779 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.11 -31.46 62.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.571 HD13 ' HB3' ' D' ' 337' ' ' ARG . 10.1 mt -71.92 -34.36 69.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.771 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.55 -31.25 71.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.853 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 8.8 mt -63.9 -36.41 83.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.428 ' CE ' ' HB2' ' B' ' 347' ' ' ALA . 53.8 mttt -65.68 -32.77 74.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -66.93 -32.68 74.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.31 -32.67 74.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.838 0.352 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -141.4 126.33 18.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 7.1 m -98.54 152.77 19.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 18.7 tp -151.47 106.18 3.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.19 83.6 3.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.558 HG22 ' H ' ' D' ' 334' ' ' GLY . 3.8 mt -78.84 127.13 39.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 18.0 ptt85 -98.4 32.85 2.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.558 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -140.46 111.12 0.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.413 ' HG3' ' CZ ' ' C' ' 328' ' ' PHE . 3.8 ttp180 -62.44 -31.05 71.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -60.38 2.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.571 ' HB3' HD13 ' C' ' 348' ' ' LEU . 5.7 ptp85 -56.34 -40.47 74.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.844 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.698 ' CE1' HD13 ' C' ' 330' ' ' LEU . 3.8 t80 -63.87 -39.37 94.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.243 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -57.65 -41.21 81.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.767 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.5 ttp -62.17 -54.39 41.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.418 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.456 ' CD2' ' CD2' ' C' ' 341' ' ' PHE . 2.8 m-85 -60.95 -36.41 79.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.807 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -37.34 86.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.221 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -79.01 -30.22 44.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.324 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.841 HD22 HD11 ' A' ' 344' ' ' LEU . 29.0 mt -78.43 -31.85 48.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.66 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -76.19 -35.31 59.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.71 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -75.68 -37.06 59.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.574 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.47 ' HB2' ' HD3' ' A' ' 351' ' ' LYS . . . -73.55 -33.3 64.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.611 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.878 HD13 ' HD2' ' C' ' 337' ' ' ARG . 0.6 OUTLIER -75.74 -41.53 53.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.344 179.572 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.55 -25.81 65.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.241 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.544 HD22 ' HG3' ' A' ' 351' ' ' LYS . 1.3 tp -66.03 -41.02 91.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.69 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -67.05 -42.93 83.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -68.15 -31.5 71.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.09 -33.46 70.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.892 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.87 0.367 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -151.66 92.09 1.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 3.1 m -62.14 130.92 47.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.475 HD21 ' ND2' ' B' ' 345' ' ' ASN . 33.1 tp -133.0 113.21 12.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.74 106.06 18.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.539 HG21 ' HB3' ' A' ' 337' ' ' ARG . 3.8 mp -97.32 119.89 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.51 -32.09 71.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -75.55 131.17 11.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.522 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -72.08 -40.07 68.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -70.78 -41.27 71.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.539 ' HB3' HG21 ' A' ' 332' ' ' ILE . 0.0 OUTLIER -58.76 -47.08 85.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.699 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.821 ' CE2' HD13 ' B' ' 330' ' ' LEU . 11.3 t80 -59.22 -46.98 87.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.503 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -54.73 -34.22 62.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.642 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.6 mtp -66.58 -58.61 4.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.308 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.481 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 3.5 m-85 -60.99 -28.99 69.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -69.63 -36.69 76.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.934 0.397 . . . . 0.0 110.23 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -79.92 -30.88 40.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.299 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.772 ' O ' HD23 ' A' ' 348' ' ' LEU . 40.4 mt -76.98 -29.21 55.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.64 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -76.81 -40.96 46.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.689 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.638 ' O ' HD23 ' A' ' 350' ' ' LEU . 16.2 tt0 -73.37 -30.32 63.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.752 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.417 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . . . -77.28 -32.3 55.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.772 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.7 mm? -75.82 -31.39 59.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.784 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.63 -33.31 62.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.638 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.9 mm? -75.44 -40.26 57.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.806 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.519 ' HE3' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -74.09 -28.68 61.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 179.832 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.9 -30.77 56.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.38 -30.2 64.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.074 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.853 0.358 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.43 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 10.7 m-85 -107.34 102.43 11.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.63 144.84 50.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.857 HD23 HD11 ' B' ' 332' ' ' ILE . 12.7 tp -144.84 98.82 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -69.33 88.53 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.857 HD11 HD23 ' B' ' 330' ' ' LEU . 27.7 mm -73.82 141.35 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.084 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -118.54 39.62 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.43 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -151.38 141.6 8.75 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -73.79 -60.37 2.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.751 0.31 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -60.75 -36.01 77.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.484 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -60.97 -54.16 48.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.583 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -61.14 -43.99 98.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.082 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -57.24 -32.22 66.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.358 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.594 ' HE1' HD13 ' A' ' 344' ' ' LEU . 4.5 tmm? -67.38 -60.76 2.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.177 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.484 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 5.2 m-85 -58.77 -27.0 64.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.7 179.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -66.39 -39.68 89.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.205 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -74.78 -33.05 62.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.963 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.993 HD11 HD21 ' C' ' 344' ' ' LEU . 3.8 mm? -72.96 -42.59 63.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.236 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.475 ' ND2' HD21 ' A' ' 330' ' ' LEU . 21.2 m-20 -66.33 -38.85 88.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.713 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -77.15 -30.38 54.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.696 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.87 -29.77 40.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.981 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 348' ' ' LEU . 38.3 mt -79.62 -30.45 41.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.84 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.14 -30.36 55.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.806 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.465 HD22 ' OE1' ' C' ' 354' ' ' GLN . 9.5 mt -73.23 -31.15 63.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.818 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -68.61 -31.46 70.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.82 -31.62 72.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.7 -34.06 71.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.411 ' CE2' ' HG2' ' D' ' 333' ' ' ARG . 95.7 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.831 0.348 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -154.55 132.5 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.538 HG23 ' HG2' ' D' ' 331' ' ' GLN . 0.6 OUTLIER -100.77 114.14 27.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.596 HD13 ' CE2' ' D' ' 338' ' ' PHE . 13.7 tp -105.25 97.25 7.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.663 ' HG3' HG23 ' D' ' 329' ' ' THR . 16.9 mp0 -77.34 115.74 17.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.544 HD11 ' CD2' ' C' ' 330' ' ' LEU . 28.2 mm -114.6 113.19 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.198 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -30.69 71.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -80.93 130.81 9.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -40.66 68.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -70.91 -41.9 70.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.505 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 4.8 tpp180 -57.73 -48.6 79.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.794 ' CE1' HD13 ' D' ' 330' ' ' LEU . 10.4 t80 -58.79 -46.67 87.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.397 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -54.67 -32.55 59.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.475 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.488 ' O ' HD12 ' C' ' 344' ' ' LEU . 3.5 tpp -67.14 -62.19 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.973 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.505 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 6.7 m-85 -60.34 -28.0 67.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.965 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -34.75 70.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.968 0.413 . . . . 0.0 110.155 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -80.51 -29.62 37.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.188 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.993 HD21 HD11 ' B' ' 344' ' ' LEU . 1.6 mp -75.74 -32.64 60.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.598 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -75.32 -42.15 55.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.662 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -75.51 -30.18 59.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.654 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.78 -29.97 40.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.756 HD23 ' HD3' ' C' ' 351' ' ' LYS . 8.0 mt -78.49 -29.86 46.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.76 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -75.32 -29.83 60.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 10.1 mt -74.17 -40.8 62.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.756 ' HD3' HD23 ' C' ' 348' ' ' LEU . 2.9 ptmm? -68.82 -30.61 69.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -69.4 -31.79 70.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.803 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.08 -30.91 70.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.465 ' OE1' HD22 ' B' ' 350' ' ' LEU . 3.7 mt-30 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.798 0.333 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -130.94 109.76 10.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.663 HG23 ' HG3' ' C' ' 331' ' ' GLN . 0.2 OUTLIER -74.26 142.41 45.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.83 HD23 HD11 ' D' ' 332' ' ' ILE . 13.5 tp -128.47 92.72 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.538 ' HG2' HG23 ' C' ' 329' ' ' THR . 24.0 mt-30 -72.69 84.05 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.83 HD11 HD23 ' D' ' 330' ' ' LEU . 4.4 mt -88.42 142.1 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.411 ' HG2' ' CE2' ' C' ' 327' ' ' TYR . 43.4 mtp180 -98.85 35.64 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -137.25 115.35 1.23 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.29 -50.83 72.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.828 0.347 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -65.8 -35.02 79.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.519 ' HD2' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -60.29 -52.78 63.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.728 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.596 ' CE2' HD13 ' C' ' 330' ' ' LEU . 8.7 t80 -58.5 -45.27 89.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.34 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -55.27 -33.76 63.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.492 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.6 ttp -66.5 -60.73 2.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.158 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.452 ' CE1' ' HG3' ' D' ' 337' ' ' ARG . 6.2 m-85 -59.59 -27.99 66.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.771 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -67.75 -34.08 76.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.917 0.389 . . . . 0.0 110.169 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -80.21 -30.4 38.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.352 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.656 ' O ' HD12 ' D' ' 348' ' ' LEU . 1.1 tp -76.26 -30.78 57.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.664 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -76.13 -41.68 49.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.652 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -74.31 -31.54 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.708 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.69 -30.67 46.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.656 HD12 ' O ' ' D' ' 344' ' ' LEU . 5.7 mt -77.12 -29.2 54.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.76 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -73.66 -30.81 63.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.755 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 mt -74.17 -45.21 50.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.764 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 347' ' ' ALA . 0.0 OUTLIER -70.52 -28.82 65.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.767 179.818 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -74.58 -30.49 61.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.807 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.48 -31.05 69.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.807 0.337 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -139.94 94.55 2.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.75 124.92 25.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 16.0 tp -115.24 107.66 15.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -76.33 96.7 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.626 HG21 ' HG2' ' A' ' 337' ' ' ARG . 4.6 mt -100.63 137.43 28.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -97.42 38.65 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -137.27 117.84 1.6 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.43 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -48.51 81.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.961 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -69.98 -40.41 75.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.714 ' HD3' HD13 ' B' ' 348' ' ' LEU . 2.6 ttp-105 -59.97 -52.71 64.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.635 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.408 ' CD2' ' HB2' ' B' ' 330' ' ' LEU . 7.2 t80 -62.67 -43.73 98.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.973 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -57.47 -32.02 66.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.306 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.52 ' O ' HD12 ' A' ' 344' ' ' LEU . 10.7 ttm -66.79 -60.67 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.177 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.459 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 5.0 m-85 -60.23 -28.7 68.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.743 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -35.69 78.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.981 0.42 . . . . 0.0 110.175 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -79.87 -31.51 40.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.195 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.787 HD21 HD21 ' D' ' 344' ' ' LEU . 2.1 mp -75.43 -30.84 60.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.497 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -74.78 -42.64 57.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.727 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.679 ' O ' HD23 ' A' ' 350' ' ' LEU . 3.6 tp10 -73.33 -31.91 64.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.696 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -76.84 -30.28 56.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.963 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 344' ' ' LEU . 15.1 mt -75.6 -33.0 60.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -72.24 -32.89 67.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.7 mm? -69.94 -36.84 75.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -64.8 -33.55 76.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -32.4 73.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.13 -31.14 55.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.838 0.351 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -131.23 102.07 5.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 3.0 m -64.27 119.5 10.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.449 HD23 HD11 ' B' ' 332' ' ' ILE . 24.9 tp -107.29 98.78 8.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -69.94 84.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.449 HD11 HD23 ' B' ' 330' ' ' LEU . 4.5 mt -81.02 153.19 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.66 99.19 5.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 140.66 141.46 4.01 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.6 -36.87 68.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.33 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -77.03 -43.28 35.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.444 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 3.8 ttp180 -59.45 -52.49 65.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -62.75 -42.65 99.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.968 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -57.91 -32.36 67.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.368 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttm -67.33 -60.64 2.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.172 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.445 ' CD1' ' CD2' ' A' ' 341' ' ' PHE . 4.6 m-85 -59.97 -26.92 66.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.758 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.92 -36.93 81.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.173 179.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -76.48 -34.91 58.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.336 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.735 HD22 HD22 ' C' ' 344' ' ' LEU . 26.8 mt -72.38 -29.78 64.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.488 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -72.38 -44.55 62.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.722 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -70.26 -31.21 68.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.768 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.83 -34.15 60.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.714 HD13 ' HD3' ' A' ' 337' ' ' ARG . 1.5 mt -72.84 -30.52 64.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -70.93 -29.33 65.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 mt -69.97 -44.43 69.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -62.54 -29.52 70.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -66.98 -39.93 87.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.65 -31.4 63.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.88 0.371 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -144.35 123.39 12.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.404 HG22 ' HG3' ' D' ' 331' ' ' GLN . 0.2 OUTLIER -94.35 94.35 8.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 21.1 tp -95.21 119.24 33.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -101.12 126.53 47.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -131.43 153.67 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -98.21 31.11 2.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -123.33 105.13 0.89 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.481 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -58.8 -43.6 90.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.763 0.316 . . . . 0.0 110.982 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -72.28 -38.34 68.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.532 ' CG ' HD13 ' D' ' 348' ' ' LEU . 5.7 ttm180 -60.57 -48.64 80.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.661 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.777 ' CE2' HD13 ' D' ' 330' ' ' LEU . 10.7 t80 -59.23 -46.35 88.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.448 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -55.31 -33.7 63.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.672 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.8 ttp -66.97 -58.51 4.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.319 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.419 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.9 m-85 -60.31 -29.05 68.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.685 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -66.95 -35.33 79.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.171 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -78.61 -32.43 47.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.372 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.735 HD22 HD22 ' B' ' 344' ' ' LEU . 20.4 mt -74.54 -30.03 61.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.596 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -74.33 -43.55 56.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.647 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.73 -31.8 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.693 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.12 -26.85 48.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.745 HD13 ' HD3' ' C' ' 351' ' ' LYS . 1.4 mm? -78.61 -28.03 45.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -76.98 -34.61 57.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.201 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.857 HD12 ' N ' ' C' ' 351' ' ' LYS . 4.3 pp -76.26 -32.56 58.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.126 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.857 ' N ' HD12 ' C' ' 350' ' ' LEU . 10.9 ptmt -78.1 -28.88 48.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.792 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -75.58 -30.07 59.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.05 -31.3 67.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.861 0.362 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -120.11 115.26 23.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 23.3 m -68.78 138.27 54.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.777 HD13 ' CE2' ' C' ' 338' ' ' PHE . 41.4 tp -130.71 108.77 10.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.404 ' HG3' HG22 ' C' ' 329' ' ' THR . 21.2 mt-30 -87.36 111.42 21.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.545 HD11 ' CD2' ' D' ' 330' ' ' LEU . 23.3 mm -104.01 132.43 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.135 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -100.89 35.67 2.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.436 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -152.65 135.36 4.89 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.473 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -76.21 -44.94 35.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.336 . . . . 0.0 111.011 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -63.76 -55.32 24.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.412 ' HG3' HG21 ' D' ' 332' ' ' ILE . 15.8 ptp180 -55.76 -46.64 77.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.777 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -59.55 -40.03 85.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.367 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.94 -41.22 77.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.741 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.569 ' O ' HD12 ' D' ' 344' ' ' LEU . 2.2 mpp? -62.57 -54.91 32.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.396 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.451 ' HE1' HD13 ' C' ' 344' ' ' LEU . 3.4 m-85 -58.92 -33.73 70.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.777 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -62.95 -38.68 92.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.216 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -77.8 -31.19 51.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.213 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.787 HD21 HD21 ' A' ' 344' ' ' LEU . 1.2 mp -74.2 -31.52 62.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.51 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -73.16 -43.87 60.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.76 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -72.94 -30.04 63.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.804 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -79.59 -30.7 41.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.734 HD12 ' O ' ' D' ' 344' ' ' LEU . 1.2 mt -79.28 -25.93 42.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -81.34 -34.15 32.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.711 HD12 ' N ' ' D' ' 351' ' ' LYS . 4.5 pp -79.41 -29.06 41.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.942 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.711 ' N ' HD12 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -81.21 -28.58 34.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.766 179.767 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -78.25 -30.34 48.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.52 -30.92 61.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.038 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.765 0.316 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -148.65 92.5 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 3.9 m -71.24 152.85 42.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.787 HD23 HD11 ' A' ' 332' ' ' ILE . 13.5 tp -150.57 101.44 2.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -77.23 88.22 3.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.787 HD11 HD23 ' A' ' 330' ' ' LEU . 4.9 mt -92.62 130.68 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.03 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -97.79 74.88 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.7 122.99 0.87 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.521 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -69.19 -31.54 70.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -75.99 -52.17 10.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.768 ' CG ' HD13 ' B' ' 348' ' ' LEU . 4.8 mtm180 -56.43 -43.47 79.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.65 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -61.56 -46.14 91.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.394 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -55.22 -34.66 64.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.677 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.4 ttm -66.55 -58.17 5.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.398 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.427 ' CD2' ' CD2' ' B' ' 341' ' ' PHE . 2.5 m-85 -62.74 -29.43 70.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.723 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -70.92 -36.77 72.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.213 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -79.01 -31.3 44.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.319 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.924 HD11 HD11 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -76.72 -32.08 57.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.516 179.587 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -74.27 -38.61 63.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.799 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -75.48 -32.32 60.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.698 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -78.28 -30.58 48.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.958 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.843 HD13 ' HD3' ' B' ' 337' ' ' ARG . 4.5 mt -77.76 -29.99 51.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -75.69 -30.82 59.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.5 mt -72.38 -32.31 66.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -67.83 -35.31 78.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -64.85 -40.34 95.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.49 -31.49 71.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.854 0.359 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -104.03 106.2 16.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.4 m -74.97 107.83 7.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.6 HD23 HD11 ' B' ' 332' ' ' ILE . 38.8 tp -102.69 119.04 38.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -99.35 103.59 15.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.6 HD11 HD23 ' B' ' 330' ' ' LEU . 3.9 mp -104.62 145.53 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.095 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.88 38.1 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.24 135.81 8.31 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -73.49 -64.37 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -59.54 -35.67 74.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.843 ' HD3' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -60.34 -52.69 64.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.716 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.668 ' CE1' HD13 ' A' ' 330' ' ' LEU . 8.5 t80 -59.25 -45.03 92.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.232 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -55.87 -32.55 63.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.432 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.6 ttp -67.49 -61.52 1.86 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.088 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.476 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 5.0 m-85 -60.24 -26.59 66.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.76 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.43 -36.17 76.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.205 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.01 -31.79 44.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.339 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.947 HD21 HD21 ' C' ' 344' ' ' LEU . 7.3 mt -76.46 -29.89 57.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.602 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.66 ' OD1' HG23 ' A' ' 332' ' ' ILE . 17.6 t30 -75.74 -39.87 56.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.744 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -73.97 -33.7 63.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.725 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.08 -31.63 56.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.768 HD13 ' CG ' ' A' ' 337' ' ' ARG . 4.4 mt -75.61 -29.69 59.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.697 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -71.88 -30.28 65.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.791 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 14.0 mt -66.86 -37.2 84.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -64.36 -31.89 73.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -73.67 -32.54 64.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.98 -33.03 67.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.851 0.358 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.428 ' HB3' ' CD2' ' D' ' 338' ' ' PHE . 20.5 m-85 -142.55 112.57 7.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.55 125.05 48.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.507 ' O ' HD12 ' C' ' 332' ' ' ILE . 5.2 tp -123.08 119.78 31.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -84.3 96.75 9.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.507 HD12 ' O ' ' C' ' 330' ' ' LEU . 3.6 mp -93.52 113.29 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -30.19 66.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -79.52 123.2 6.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.5 ptp85 -70.42 -31.36 68.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.955 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -68.89 -55.35 11.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.4 ttm105 -55.92 -38.38 70.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.695 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.434 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 11.7 t80 -63.26 -47.17 83.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.395 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -54.2 -35.56 62.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.634 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.33 -58.59 5.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.275 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.431 ' CD2' ' CD2' ' D' ' 341' ' ' PHE . 3.4 m-85 -61.27 -30.41 70.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.832 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 23.8 ttp85 -69.9 -35.99 75.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.989 0.423 . . . . 0.0 110.221 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -79.93 -29.88 39.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.324 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.947 HD21 HD21 ' B' ' 344' ' ' LEU . 0.1 OUTLIER -77.53 -30.27 52.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.63 179.703 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -77.28 -39.06 49.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.725 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -30.49 61.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.792 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.77 -32.67 52.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.006 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.57 HD23 ' HD3' ' C' ' 351' ' ' LYS . 51.1 mt -75.69 -31.27 59.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.732 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -72.68 -29.63 63.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.804 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -70.14 -40.19 74.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.57 ' HD3' HD23 ' C' ' 348' ' ' LEU . 1.5 ptmm? -71.6 -34.92 70.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.93 -30.65 62.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.84 -34.82 62.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.434 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 35.6 m-85 -154.87 94.11 1.62 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 6.3 m -61.13 114.85 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.859 HD23 HD11 ' D' ' 332' ' ' ILE . 8.9 tp -107.44 119.21 38.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -104.11 125.18 50.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.859 HD11 HD23 ' D' ' 330' ' ' LEU . 3.8 mp -128.5 136.48 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -99.57 34.21 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.425 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -133.01 142.08 13.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.535 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -75.02 -64.3 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -58.81 -35.16 72.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.727 ' HG2' HG21 ' D' ' 332' ' ' ILE . 2.2 ttp-105 -60.88 -54.03 50.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.6 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.428 ' CD2' ' HB3' ' C' ' 328' ' ' PHE . 8.0 t80 -60.79 -44.86 96.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.035 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.68 -30.52 63.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.641 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -59.08 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.162 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.464 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.0 m-85 -61.09 -29.86 70.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.091 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -31.97 69.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.924 0.392 . . . . 0.0 110.186 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -80.69 -33.6 35.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.215 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.924 HD11 HD11 ' A' ' 344' ' ' LEU . 0.1 OUTLIER -71.95 -32.23 67.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.348 179.433 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.13 -48.1 46.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.477 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.24 -31.16 69.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.81 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -75.75 -31.37 59.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.011 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.79 HD23 ' O ' ' D' ' 344' ' ' LEU . 2.8 mm? -72.78 -33.98 66.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.694 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.25 -31.44 71.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -69.59 -32.82 71.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -64.72 -31.84 73.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -62.0 -31.95 72.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.06 -31.08 69.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.072 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.819 0.342 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.427 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 21.4 m-85 -115.53 116.8 28.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.489 HG23 ' HG3' ' B' ' 331' ' ' GLN . 1.8 m -78.83 127.09 31.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.633 HD23 HD11 ' A' ' 332' ' ' ILE . 18.2 tp -118.91 91.36 3.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.02 97.33 5.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.633 HD11 HD23 ' A' ' 330' ' ' LEU . 4.6 mt -106.46 137.2 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.62 30.97 4.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.601 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -121.42 127.99 7.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.466 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.8 ttp85 -66.59 -65.19 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.68 -36.37 76.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.496 ' HG3' ' CE2' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -59.84 -51.79 68.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.735 179.805 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -59.79 -46.45 89.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.22 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.74 -31.33 62.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.359 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -67.23 -61.52 1.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.101 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.496 ' CE2' ' HG3' ' A' ' 337' ' ' ARG . 7.0 m-85 -58.63 -28.04 65.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -35.31 78.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.961 0.41 . . . . 0.0 110.232 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -80.1 -29.94 39.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.315 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.715 HD21 ' HG ' ' D' ' 344' ' ' LEU . 0.3 OUTLIER -77.17 -30.9 55.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.597 179.684 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -76.76 -39.58 51.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.791 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -75.11 -30.34 60.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.743 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.7 -32.26 46.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.012 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.779 HD23 ' HD3' ' A' ' 351' ' ' LYS . 3.0 mt -77.12 -29.54 54.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.746 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -74.63 -29.93 61.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.6 mt -72.3 -40.49 67.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.779 ' HD3' HD23 ' A' ' 348' ' ' LEU . 0.4 OUTLIER -70.46 -31.36 68.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -72.4 -31.65 65.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.11 -31.55 66.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.91 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.81 0.338 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.412 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 5.7 m-85 -107.71 100.44 9.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.8 m -82.04 139.84 34.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' B' ' 330' ' ' LEU . 13.8 tp -137.59 119.04 14.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.489 ' HG3' HG23 ' A' ' 329' ' ' THR . 31.0 mt-30 -102.69 90.09 3.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.44 ' H ' HD12 ' B' ' 332' ' ' ILE . 3.8 mp -90.09 142.34 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -98.48 32.84 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -120.51 116.07 3.11 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.469 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 23.1 ttp85 -60.25 -52.64 64.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -69.59 -42.53 74.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.594 ' CG ' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -57.66 -45.93 84.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.775 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 12.7 t80 -59.42 -48.07 83.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.496 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -54.73 -33.37 61.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.694 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.0 mtm -67.05 -57.96 5.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.391 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.417 ' CD2' ' CD1' ' A' ' 341' ' ' PHE . 2.5 m-85 -62.16 -29.8 70.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.74 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -70.38 -36.85 74.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.236 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -78.85 -31.15 45.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.332 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.794 ' O ' HD23 ' B' ' 348' ' ' LEU . 0.7 OUTLIER -76.12 -30.56 58.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.575 179.607 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -75.23 -40.75 58.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.768 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -71.72 -31.4 66.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.517 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -75.29 -34.9 61.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.015 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.794 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.7 mm? -72.39 -32.12 66.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.738 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.95 -30.1 67.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -42.9 79.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.542 ' CE ' ' HB2' ' C' ' 347' ' ' ALA . 0.1 OUTLIER -60.17 -31.15 69.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -61.98 -36.93 82.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.0 -31.34 72.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.094 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.411 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 8.0 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.85 0.357 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -153.06 114.32 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.57 143.02 50.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.468 HD21 HD11 ' C' ' 332' ' ' ILE . 15.9 tp -140.95 102.06 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.711 ' HG3' HG23 ' D' ' 329' ' ' THR . 6.6 mt-30 -102.69 95.98 6.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.468 HD11 HD21 ' C' ' 330' ' ' LEU . 23.5 mt -106.64 152.96 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -105.21 36.32 2.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -125.11 112.39 1.71 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.437 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -64.19 -42.4 96.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -73.0 -46.58 51.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -57.2 -43.14 82.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.703 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.595 ' CE1' HD13 ' D' ' 330' ' ' LEU . 13.0 t80 -61.1 -48.86 79.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.419 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -54.27 -33.24 58.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.647 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.2 ttm -66.77 -58.02 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.346 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.432 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 3.4 m-85 -60.13 -30.56 69.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.693 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.38 -38.26 87.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.191 179.403 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -78.14 -32.16 50.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.267 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.688 HD22 HD11 ' B' ' 344' ' ' LEU . 61.5 mt -74.84 -29.78 61.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.458 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -73.82 -43.76 57.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.58 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.565 ' O ' HD23 ' C' ' 350' ' ' LEU . 4.4 tt0 -69.45 -34.64 74.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.709 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.542 ' HB2' ' CE ' ' B' ' 351' ' ' LYS . . . -71.09 -33.43 70.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.519 HD23 ' O ' ' C' ' 344' ' ' LEU . 1.7 mm? -68.9 -39.19 79.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.669 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -61.98 -31.79 72.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.773 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.565 HD23 ' O ' ' C' ' 346' ' ' GLU . 4.0 mm? -68.86 -52.64 27.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.732 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -29.68 69.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -76.03 -30.85 58.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.31 -31.06 65.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.782 0.325 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -132.15 108.81 9.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.711 HG23 ' HG3' ' C' ' 331' ' ' GLN . 0.2 OUTLIER -77.49 126.38 30.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.77 HD23 HD11 ' D' ' 332' ' ' ILE . 14.6 tp -131.96 112.34 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -87.98 93.65 9.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.77 HD11 HD23 ' D' ' 330' ' ' LEU . 27.4 mm -79.31 134.09 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.411 ' HG3' ' CE2' ' C' ' 327' ' ' TYR . 9.6 ttp180 -98.67 30.8 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.539 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -132.42 127.22 4.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.431 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.9 ptt-85 -70.28 -47.69 60.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.788 0.328 . . . . 0.0 110.928 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -39.39 61.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.0 mtm105 -62.0 -44.71 96.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.9 0.381 . . . . 0.0 110.548 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.422 ' CE2' HD13 ' C' ' 330' ' ' LEU . 12.4 t80 -61.31 -48.07 83.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.31 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -54.94 -32.48 61.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.564 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.526 ' O ' HD12 ' D' ' 344' ' ' LEU . 0.3 OUTLIER -67.13 -59.03 3.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.252 179.474 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.432 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 3.6 m-85 -60.21 -29.68 68.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.742 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -67.47 -37.82 83.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.138 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -78.66 -32.04 47.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.203 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.715 ' HG ' HD21 ' A' ' 344' ' ' LEU . 1.5 mp -75.31 -30.47 60.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.474 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -73.68 -42.59 61.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.671 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.716 ' O ' HD23 ' D' ' 350' ' ' LEU . 5.0 mm-40 -72.34 -32.4 66.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.66 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.12 -30.75 62.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.913 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.446 HD23 ' O ' ' D' ' 344' ' ' LEU . 1.4 mm? -72.74 -39.07 67.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.684 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -68.95 -34.54 75.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.716 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.7 mm? -67.04 -31.54 72.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.84 -32.38 73.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.803 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.69 -31.71 70.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.5 -31.68 71.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.408 ' CE1' ' HB3' ' B' ' 333' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.784 0.326 . . . . 0.0 110.904 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -144.62 92.95 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.481 HG23 ' HG3' ' B' ' 331' ' ' GLN . 0.2 OUTLIER -80.23 128.7 33.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.544 HD22 ' CD2' ' B' ' 338' ' ' PHE . 0.6 OUTLIER -132.37 115.77 16.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.857 ' HG3' HG23 ' B' ' 329' ' ' THR . 2.9 mt-30 -85.91 99.51 11.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -89.59 147.0 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.06 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.415 ' HG2' ' CD1' ' B' ' 327' ' ' TYR . 18.0 mtm180 -103.51 35.88 2.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.44 138.3 10.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.513 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 7.9 ttt-85 -75.48 -64.49 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -59.62 -36.61 76.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.567 ' HD3' HD13 ' B' ' 348' ' ' LEU . 22.8 ttp180 -60.39 -53.37 58.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.589 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.605 ' CE2' HD13 ' B' ' 330' ' ' LEU . 8.1 t80 -61.47 -45.25 95.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.047 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.0 -31.39 65.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.439 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.59 -59.43 3.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.303 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.483 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 2.1 m-85 -61.75 -28.06 69.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.682 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 15.6 ttp85 -70.41 -38.52 74.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.345 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -78.33 -32.13 49.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.379 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.621 ' CD2' HD22 ' D' ' 344' ' ' LEU . 7.9 mt -77.61 -28.69 51.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.567 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -76.6 -37.76 55.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.707 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.748 ' O ' HD23 ' A' ' 350' ' ' LEU . 2.4 tp10 -74.0 -32.79 63.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.792 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.459 ' HB2' ' HD2' ' D' ' 351' ' ' LYS . . . -75.55 -31.66 60.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.026 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.718 HD13 ' HG3' ' B' ' 337' ' ' ARG . 11.6 mt -75.1 -33.78 61.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -71.91 -31.48 66.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.748 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.7 mm? -70.15 -37.46 75.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.602 ' HE3' ' HB2' ' D' ' 347' ' ' ALA . 2.6 ttmt -64.19 -31.56 72.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.06 -31.44 72.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.42 -37.03 68.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.415 ' CD1' ' HG2' ' A' ' 333' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.815 0.34 . . . . 0.0 110.897 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -150.03 127.19 11.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.857 HG23 ' HG3' ' A' ' 331' ' ' GLN . 0.2 OUTLIER -97.61 112.89 24.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.605 HD13 ' CE2' ' A' ' 338' ' ' PHE . 15.4 tp -109.05 122.22 46.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.481 ' HG3' HG23 ' A' ' 329' ' ' THR . 43.7 mt-30 -94.44 111.58 23.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.544 HG12 HD21 ' A' ' 330' ' ' LEU . 24.4 mm -103.5 119.63 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.408 ' HB3' ' CE1' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -98.63 32.87 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.495 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -142.32 125.87 2.78 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -60.34 -49.14 78.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.337 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -69.82 -39.85 76.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.718 ' HG3' HD13 ' A' ' 348' ' ' LEU . 3.5 ttm180 -59.28 -51.62 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.69 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.544 ' CD2' HD22 ' A' ' 330' ' ' LEU . 8.7 t80 -59.83 -45.01 93.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.265 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -55.82 -33.55 64.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.483 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.7 ttm -66.02 -60.24 3.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.183 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.483 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 6.9 m-85 -58.16 -29.15 65.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -36.79 84.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.967 0.413 . . . . 0.0 110.114 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.65 -31.91 47.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.307 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.804 HD21 HD21 ' C' ' 344' ' ' LEU . 0.2 OUTLIER -74.69 -31.9 62.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.45 179.541 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -72.56 -43.16 63.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.633 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.502 ' O ' HD12 ' B' ' 350' ' ' LEU . 1.5 mp0 -70.57 -36.11 73.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.621 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.11 -30.84 65.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.567 HD13 ' HD3' ' A' ' 337' ' ' ARG . 10.1 mt -71.37 -37.42 71.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.705 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -64.62 -30.95 71.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.502 HD12 ' O ' ' B' ' 346' ' ' GLU . 1.2 mp -66.8 -46.86 73.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -59.32 -30.87 68.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.29 -31.56 58.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.29 -35.29 55.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -129.01 128.74 44.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.28 101.01 11.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.439 HD13 ' CE1' ' D' ' 338' ' ' PHE . 12.2 tp -93.69 106.28 18.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -83.88 113.71 21.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.655 HG23 ' OD1' ' D' ' 345' ' ' ASN . 4.9 mt -116.61 145.38 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.417 ' HG3' ' CE1' ' D' ' 327' ' ' TYR . 1.8 ttm180 -98.16 35.62 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -138.52 120.61 1.99 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 13.2 ttt85 -68.02 -33.06 73.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.21 -48.67 27.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -55.89 -43.59 77.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.716 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.516 ' CD1' HD22 ' D' ' 330' ' ' LEU . 12.8 t80 -61.29 -49.16 78.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.378 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.46 -32.62 58.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.641 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.558 ' O ' HD12 ' C' ' 344' ' ' LEU . 1.0 OUTLIER -66.7 -58.07 5.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.316 179.527 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.453 ' HE2' HD13 ' C' ' 332' ' ' ILE . 2.8 m-85 -61.91 -31.61 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.716 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -36.15 75.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.152 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -80.09 -31.86 39.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.16 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.804 HD21 HD21 ' B' ' 344' ' ' LEU . 0.7 OUTLIER -76.03 -30.62 58.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.476 179.514 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -74.72 -41.93 59.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.645 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.453 ' O ' HD23 ' C' ' 350' ' ' LEU . 8.0 tt0 -71.45 -34.62 70.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.685 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.95 -30.73 65.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.834 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.417 HD22 HH21 ' D' ' 337' ' ' ARG . 0.5 OUTLIER -71.09 -41.06 71.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.686 179.84 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.35 -31.45 72.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.453 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.4 mm? -71.51 -33.98 69.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -66.7 -35.31 79.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -66.54 -31.85 72.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.24 -31.2 54.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.487 ' OE1' HD23 ' B' ' 350' ' ' LEU . 2.8 mt-30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.417 ' CE1' ' HG3' ' C' ' 333' ' ' ARG . 8.4 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.852 0.358 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -147.86 152.64 37.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 66.5 m -139.25 134.43 32.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.895 HD12 HD11 ' D' ' 332' ' ' ILE . 0.6 OUTLIER -130.99 117.83 19.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.36 84.55 6.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.895 HD11 HD12 ' D' ' 330' ' ' LEU . 3.7 mp -77.47 141.6 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -97.72 38.13 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -146.14 125.33 2.24 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.455 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -74.58 -33.03 62.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 0.0 111.039 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -71.28 -62.72 1.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.417 HH21 HD22 ' C' ' 348' ' ' LEU . 2.0 ptp85 -52.87 -43.0 65.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.439 ' CE1' HD13 ' C' ' 330' ' ' LEU . 4.0 t80 -61.04 -39.79 91.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.299 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -56.65 -41.89 77.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.618 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.1 mtm -62.14 -55.89 24.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.412 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -59.33 -31.38 69.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.788 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -37.23 86.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.951 0.405 . . . . 0.0 110.267 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -77.75 -32.39 52.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.299 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.788 ' O ' HD23 ' D' ' 348' ' ' LEU . 82.8 mt -74.13 -29.48 61.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.595 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.655 ' OD1' HG23 ' C' ' 332' ' ' ILE . 51.8 t30 -74.53 -43.86 53.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.722 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -71.58 -31.93 67.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.806 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.602 ' HB2' ' HE3' ' A' ' 351' ' ' LYS . . . -75.89 -31.1 59.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.983 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.836 HD13 ' HD3' ' D' ' 351' ' ' LYS . 3.1 mm? -73.76 -34.09 64.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.733 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -68.63 -31.36 70.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.97 -47.22 53.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.836 ' HD3' HD13 ' D' ' 348' ' ' LEU . 0.1 OUTLIER -69.51 -29.43 67.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -75.98 -30.91 58.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.73 -36.3 65.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.406 ' CE1' ' HB3' ' B' ' 333' ' ' ARG . 23.4 m-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.794 0.331 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -134.71 98.56 4.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.582 HG22 ' CG2' ' B' ' 329' ' ' THR . 0.2 OUTLIER -63.01 143.9 57.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.907 HD23 HD11 ' A' ' 332' ' ' ILE . 14.7 tp -144.31 100.72 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -77.96 83.89 4.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.907 HD11 HD23 ' A' ' 330' ' ' LEU . 4.8 mt -88.4 126.87 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 9.5 ttp85 -87.53 72.81 9.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -168.64 113.07 0.51 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.41 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 11.7 ptp180 -62.4 -41.24 98.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -75.76 -44.7 40.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.651 ' CG ' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -57.34 -48.61 78.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.685 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.462 ' CE1' HD13 ' B' ' 330' ' ' LEU . 10.8 t80 -60.45 -46.83 88.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.242 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.46 -32.86 63.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.548 ' O ' HD12 ' A' ' 344' ' ' LEU . 1.3 ttp -67.1 -59.52 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.189 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.581 ' HE1' HD23 ' B' ' 344' ' ' LEU . 3.3 m-85 -59.92 -29.15 68.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.799 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -41.02 79.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.995 0.426 . . . . 0.0 110.168 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -76.11 -31.54 58.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.217 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.706 ' CD2' HD21 ' D' ' 344' ' ' LEU . 0.9 OUTLIER -73.7 -31.58 63.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.497 179.527 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.441 ' ND2' HD21 ' B' ' 330' ' ' LEU . 14.7 m-20 -71.57 -44.04 65.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.802 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.07 -34.76 73.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.779 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.45 -36.7 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.701 HD13 ' HD2' ' B' ' 337' ' ' ARG . 10.8 mt -77.08 -27.14 54.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.64 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.92 -29.07 58.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.662 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.07 -37.6 78.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.774 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 7.0 mtpp -65.08 -31.33 72.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.91 -32.11 73.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.45 -34.26 73.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.765 0.317 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.41 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 6.1 m-85 -110.89 109.98 20.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.582 ' CG2' HG22 ' A' ' 329' ' ' THR . 1.7 m -74.68 132.43 41.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.462 HD13 ' CE1' ' A' ' 338' ' ' PHE . 6.2 tp -134.59 105.2 6.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -100.77 114.99 29.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.775 HG21 ' HB3' ' B' ' 337' ' ' ARG . 3.1 mp -101.1 149.38 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.406 ' HB3' ' CE1' ' A' ' 327' ' ' TYR . 5.7 ptp180 -98.8 31.15 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -143.46 120.53 1.52 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -32.04 70.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.35 -46.18 23.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.775 ' HB3' HG21 ' B' ' 332' ' ' ILE . 1.5 tpp180 -58.11 -50.15 74.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.665 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.704 ' CE2' HD13 ' A' ' 330' ' ' LEU . 7.4 t80 -60.48 -43.8 96.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.176 179.473 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -55.4 -34.75 64.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.604 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 24.1 ttm -65.7 -60.08 3.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.23 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.442 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 7.4 m-85 -58.75 -28.53 65.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -36.84 84.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.987 0.422 . . . . 0.0 110.056 179.225 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -78.3 -31.08 48.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.319 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.84 HD11 HD11 ' C' ' 344' ' ' LEU . 2.3 tp -75.71 -30.7 59.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.587 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -74.53 -41.45 60.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.69 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.484 ' O ' HD23 ' B' ' 350' ' ' LEU . 16.5 tt0 -72.15 -35.05 68.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.76 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.7 -31.87 59.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.651 HD13 ' CG ' ' A' ' 337' ' ' ARG . 4.2 mt -74.44 -29.27 61.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.752 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -70.41 -31.64 68.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.72 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.484 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.8 mm? -71.69 -49.45 39.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.711 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -28.94 66.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.739 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -75.63 -30.44 59.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.767 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.57 -30.94 67.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.059 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.415 ' CE1' ' HG3' ' D' ' 333' ' ' ARG . 88.7 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.849 0.357 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -140.35 104.39 4.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.42 124.31 27.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.863 HD23 HD11 ' C' ' 332' ' ' ILE . 11.7 tp -118.2 103.88 10.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.506 ' HG3' HG22 ' D' ' 329' ' ' THR . 8.8 mt-30 -86.91 83.99 7.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.863 HD11 HD23 ' C' ' 330' ' ' LEU . 4.6 mt -89.22 143.55 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.422 ' HG2' ' CD1' ' D' ' 327' ' ' TYR . 38.5 mtm180 -101.04 37.59 1.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -138.91 135.32 7.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.33 -43.88 39.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.28 -41.3 66.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.456 ' HG3' ' CZ ' ' C' ' 341' ' ' PHE . 8.1 ttp180 -59.64 -52.7 64.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.616 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -62.4 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.013 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -31.89 67.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.383 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.27 -60.24 2.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.208 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.456 ' CZ ' ' HG3' ' C' ' 337' ' ' ARG . 3.3 m-85 -62.42 -28.61 69.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -71.68 -34.78 69.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.956 0.408 . . . . 0.0 110.286 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -80.9 -31.38 35.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.245 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.84 HD11 HD11 ' B' ' 344' ' ' LEU . 0.2 OUTLIER -76.93 -29.39 55.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.543 179.554 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.407 ' OD1' HG23 ' D' ' 332' ' ' ILE . 0.5 OUTLIER -76.91 -41.31 44.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.7 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.84 -31.03 61.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.672 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.36 -30.79 48.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.967 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.486 HD13 ' HG3' ' D' ' 337' ' ' ARG . 6.8 mt -76.64 -31.41 57.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.74 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -72.99 -29.87 63.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -70.1 -37.63 75.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -62.79 -32.11 73.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -71.83 -32.18 67.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.86 -37.11 78.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.422 ' CD1' ' HG2' ' C' ' 333' ' ' ARG . 20.7 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.791 0.329 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -147.04 98.23 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.506 HG22 ' HG3' ' C' ' 331' ' ' GLN . 0.8 OUTLIER -71.39 139.37 49.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.447 HD23 HD11 ' D' ' 332' ' ' ILE . 28.7 tp -131.74 110.3 10.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -96.85 90.16 5.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.447 HD11 HD23 ' D' ' 330' ' ' LEU . 3.6 mp -91.26 140.54 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.415 ' HG3' ' CE1' ' C' ' 327' ' ' TYR . 0.0 OUTLIER -98.77 33.42 2.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.01 125.6 4.34 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -75.04 -34.52 61.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.349 . . . . 0.0 110.934 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -75.65 -53.64 8.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.486 ' HG3' HD13 ' C' ' 348' ' ' LEU . 1.2 ttm105 -55.74 -41.74 74.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.72 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -62.12 -47.08 86.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.382 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -54.4 -35.14 62.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.681 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.9 ttp -65.5 -58.32 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.313 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.413 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 4.9 m-85 -59.24 -30.9 68.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.809 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.33 -39.4 89.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.093 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -76.86 -29.39 55.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.062 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.706 HD21 ' CD2' ' A' ' 344' ' ' LEU . 0.1 OUTLIER -74.36 -39.35 62.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.535 179.473 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -69.5 -39.19 77.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.765 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.06 -30.61 62.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.05 -29.79 58.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.401 HD13 ' HD3' ' C' ' 337' ' ' ARG . 13.9 mt -75.06 -39.01 61.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.789 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.42 -27.24 65.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' D' ' 350' ' ' LEU . 0.2 OUTLIER -71.65 -41.1 69.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -30.17 68.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -70.71 -31.8 68.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.24 -32.31 73.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.81 0.338 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -143.57 92.89 2.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 2.9 m -60.87 150.42 33.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.845 HD23 HD11 ' A' ' 332' ' ' ILE . 15.2 tp -144.18 107.98 4.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -89.79 83.94 6.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.845 HD11 HD23 ' A' ' 330' ' ' LEU . 3.8 mp -86.63 130.22 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -98.76 32.61 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.517 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -134.63 109.66 0.8 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.518 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -60.25 -31.65 70.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.328 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -75.99 -54.08 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.5 ttm105 -56.32 -38.1 70.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.715 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -64.16 -48.61 75.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.329 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -54.43 -32.97 58.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.612 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.478 ' O ' HD12 ' A' ' 344' ' ' LEU . 3.2 mtp -66.72 -58.7 4.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.285 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.417 ' HB3' ' CG ' ' B' ' 341' ' ' PHE . 3.2 m-85 -60.55 -30.14 69.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.796 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -68.64 -37.14 79.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.219 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -79.12 -30.97 44.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.214 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.884 ' CD2' HD21 ' D' ' 344' ' ' LEU . 1.6 mp -75.78 -32.27 59.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.46 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.442 ' ND2' HD12 ' B' ' 332' ' ' ILE . 31.5 t-20 -73.25 -41.58 63.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.626 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -36.79 68.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.625 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.7 -31.27 64.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.789 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.8 HD13 ' HD3' ' B' ' 337' ' ' ARG . 1.5 mt -70.68 -37.27 73.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.584 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.21 -26.43 47.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.516 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 350' ' ' LEU . 9.9 tp -78.34 -31.37 48.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.816 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -33.38 65.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.82 -31.56 70.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.46 -43.87 68.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.802 0.334 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -102.32 103.63 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.17 152.81 32.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.473 ' CG ' HD11 ' B' ' 332' ' ' ILE . 13.7 tp -154.2 98.49 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -89.15 108.95 19.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.482 HG22 ' H ' ' B' ' 334' ' ' GLY . 28.0 mm -103.47 137.76 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -98.77 30.65 3.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.482 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -132.04 128.73 5.37 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.505 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -70.36 -47.74 59.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.53 -44.52 62.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.8 ' HD3' HD13 ' A' ' 348' ' ' LEU . 1.0 OUTLIER -58.71 -51.36 70.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.618 179.783 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.671 ' CE2' HD13 ' A' ' 330' ' ' LEU . 7.3 t80 -62.41 -43.76 98.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.0 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -57.31 -32.08 66.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.366 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 5.8 ttm -67.12 -60.97 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.159 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.457 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 5.4 m-85 -59.96 -27.28 66.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -68.82 -34.88 76.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.925 0.393 . . . . 0.0 110.218 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -79.29 -31.96 43.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.319 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.801 ' O ' HD23 ' B' ' 348' ' ' LEU . 0.5 OUTLIER -75.29 -32.0 60.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.484 179.578 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.616 ' OD1' HG23 ' A' ' 332' ' ' ILE . 3.6 t30 -73.58 -41.39 62.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.666 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.468 ' O ' HD12 ' B' ' 350' ' ' LEU . 36.8 mt-10 -72.27 -31.15 65.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.709 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.432 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -73.56 -31.12 63.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.945 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.801 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.5 mm? -72.57 -41.9 65.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.87 -30.97 70.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.468 HD12 ' O ' ' B' ' 346' ' ' GLU . 2.3 mt -69.62 -35.93 75.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -63.37 -32.93 74.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -66.97 -36.34 81.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.74 -35.74 78.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.842 0.353 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -117.4 102.31 9.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.406 HG22 ' HG3' ' D' ' 331' ' ' GLN . 0.8 OUTLIER -68.82 134.79 50.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.573 ' O ' HD12 ' C' ' 332' ' ' ILE . 17.6 tp -130.99 109.54 10.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -86.31 100.46 12.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.573 HD12 ' O ' ' C' ' 330' ' ' LEU . 3.8 mp -102.57 141.7 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -98.87 34.67 2.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.69 123.53 3.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.61 -64.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -60.33 -38.39 83.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.82 ' HG2' HD22 ' D' ' 348' ' ' LEU . 3.0 tpt180 -59.23 -51.39 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.718 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.629 ' CE1' HD13 ' D' ' 330' ' ' LEU . 9.7 t80 -60.81 -46.55 90.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.131 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -55.85 -32.41 63.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.393 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 30.5 ttm -66.03 -60.18 3.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.199 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.598 ' HE2' HD13 ' D' ' 344' ' ' LEU . 5.1 m-85 -60.48 -31.26 70.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.799 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -35.03 77.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.981 0.42 . . . . 0.0 110.122 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -79.26 -30.7 43.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.134 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.798 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.8 OUTLIER -73.08 -32.19 64.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.494 179.586 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -73.76 -46.47 45.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.585 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.92 -29.24 65.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.606 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.432 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -75.29 -32.85 61.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.008 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.798 HD23 ' O ' ' C' ' 344' ' ' LEU . 2.9 mm? -72.09 -37.42 69.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.749 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.58 -30.25 70.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -37.68 88.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -60.01 -38.96 84.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.87 -40.58 97.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.83 -33.66 76.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.065 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -137.34 118.49 14.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 1.8 m -82.25 116.33 21.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.819 HD23 HD11 ' D' ' 332' ' ' ILE . 20.1 tp -106.03 112.34 25.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.406 ' HG3' HG22 ' C' ' 329' ' ' THR . 6.0 mt-30 -90.87 84.08 5.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.819 HD11 HD23 ' D' ' 330' ' ' LEU . 3.8 mp -86.92 119.82 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -85.58 76.49 10.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 177.19 140.24 3.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.459 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -76.3 -51.08 12.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -68.0 -39.23 83.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.451 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 3.9 tpp180 -60.36 -53.22 60.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.624 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -60.47 -42.88 97.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.167 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -56.93 -34.26 67.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.494 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.3 ttp -66.6 -59.95 3.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.219 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.451 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 3.6 m-85 -60.77 -27.85 68.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.676 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -67.5 -33.69 75.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.106 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.93 -35.28 59.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.394 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.884 HD21 ' CD2' ' A' ' 344' ' ' LEU . 7.1 mt -71.83 -36.59 70.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.495 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.447 ' OD1' HG23 ' C' ' 332' ' ' ILE . 54.6 t30 -67.24 -40.36 86.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.448 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -68.46 -45.91 71.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.582 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.42 -28.62 68.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.7 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.82 HD22 ' HG2' ' C' ' 337' ' ' ARG . 10.6 tp -68.73 -39.43 80.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.77 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -61.79 -33.79 74.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.38 -32.66 70.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.803 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.72 -32.26 73.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.33 -32.23 73.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.74 -30.91 46.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.796 0.332 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -147.42 91.27 1.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.588 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -70.97 138.15 49.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.733 HD23 HD11 ' A' ' 332' ' ' ILE . 17.9 tp -138.43 114.27 9.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -96.13 84.91 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.733 HD11 HD23 ' A' ' 330' ' ' LEU . 3.8 mp -82.53 136.85 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -98.42 35.04 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -134.25 122.43 2.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -65.78 -44.08 86.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -72.4 -42.77 64.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.776 ' HG3' HD13 ' B' ' 348' ' ' LEU . 6.4 ttm180 -57.65 -48.44 79.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.701 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.717 ' CE1' HD13 ' B' ' 330' ' ' LEU . 11.3 t80 -59.16 -46.77 87.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.436 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -55.27 -33.51 63.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.672 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.3 ttp -67.17 -58.33 5.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.368 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.473 ' CD2' ' CD1' ' B' ' 341' ' ' PHE . 2.8 m-85 -61.68 -28.69 69.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.759 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttt-85 -69.06 -34.58 75.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.261 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -79.78 -32.81 40.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.325 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.983 HD21 HD21 ' D' ' 344' ' ' LEU . 1.2 mt -75.31 -29.55 60.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.508 179.537 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -75.42 -42.44 53.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.709 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.492 ' O ' HD23 ' A' ' 350' ' ' LEU . 0.5 OUTLIER -72.28 -32.14 66.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.706 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.34 -30.46 60.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.013 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.529 HD23 ' HD2' ' A' ' 351' ' ' LYS . 9.1 mt -74.38 -35.52 63.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -71.44 -28.67 64.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 346' ' ' GLU . 2.9 mm? -73.78 -42.45 60.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.529 ' HD2' HD23 ' A' ' 348' ' ' LEU . 17.3 ptpt -68.19 -30.59 69.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.81 -31.9 70.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -79.41 -30.95 42.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.075 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.835 0.35 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -136.55 103.12 5.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.588 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -73.61 106.18 5.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.948 HD23 HD11 ' B' ' 332' ' ' ILE . 21.3 tp -104.02 97.64 7.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -77.71 96.73 4.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.948 HD11 HD23 ' B' ' 330' ' ' LEU . 4.8 mt -101.12 150.13 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -110.22 42.39 1.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.93 120.68 1.76 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.85 -34.64 60.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -71.43 -58.61 3.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.428 ' HB3' HD13 ' A' ' 348' ' ' LEU . 10.1 ptp180 -54.77 -45.21 74.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.788 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -59.94 -39.37 85.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.323 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.03 -41.91 79.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.663 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.465 ' O ' HD12 ' B' ' 344' ' ' LEU . 1.1 ttp -62.09 -55.5 28.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.437 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.473 ' CD1' ' CD2' ' A' ' 341' ' ' PHE . 3.8 m-85 -58.85 -31.57 68.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.838 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -64.12 -36.5 84.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.268 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -78.84 -31.87 45.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.299 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.759 HD21 HD21 ' C' ' 344' ' ' LEU . 2.2 mp -75.79 -31.26 59.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.539 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.6 ' OD1' HG23 ' A' ' 332' ' ' ILE . 4.7 t30 -74.09 -40.74 62.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.706 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -72.83 -35.22 67.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.2 -29.79 54.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.776 HD13 ' HG3' ' A' ' 337' ' ' ARG . 15.4 mt -79.69 -24.49 41.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.8 -34.77 33.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.543 ' C ' HD12 ' B' ' 350' ' ' LEU . 3.9 pp -78.11 -30.33 49.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.477 ' N ' HD12 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -79.92 -29.15 39.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.785 179.875 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -78.02 -30.67 50.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.11 -31.23 61.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.953 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.407 ' CE1' ' HG3' ' D' ' 333' ' ' ARG . 24.7 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.854 0.359 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -105.55 117.59 34.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.6 m -83.86 130.89 34.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.527 HD23 HD11 ' C' ' 332' ' ' ILE . 27.7 tp -130.36 101.7 5.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.587 HE21 ' HD1' ' D' ' 327' ' ' TYR . 3.4 tt0 -85.62 90.11 7.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.527 HD11 HD23 ' C' ' 330' ' ' LEU . 4.4 mt -87.06 153.14 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.057 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.2 37.51 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.48 126.68 4.41 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.31 -40.26 58.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -73.65 -50.08 22.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 mtm105 -57.07 -41.7 79.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.738 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.7 ' CE2' HD13 ' D' ' 330' ' ' LEU . 11.5 t80 -61.38 -47.3 86.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.421 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.48 -34.77 62.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.713 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 3.4 ttp -66.52 -58.34 5.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.326 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.411 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 2.7 m-85 -62.38 -29.82 70.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.666 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -69.2 -33.43 73.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.191 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -78.9 -32.64 45.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.344 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.759 HD21 HD21 ' B' ' 344' ' ' LEU . 0.6 OUTLIER -75.93 -34.92 59.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.495 179.617 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.654 ' OD1' HG23 ' D' ' 332' ' ' ILE . 21.9 m-80 -71.63 -37.23 70.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.426 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.1 -43.3 65.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.592 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.0 -28.57 65.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.672 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.8 HD22 ' HG2' ' D' ' 337' ' ' ARG . 6.1 tp -71.29 -36.96 71.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.725 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -65.37 -31.5 72.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.19 -31.69 64.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -69.12 -31.45 70.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.3 -31.53 72.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.37 -30.75 62.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.587 ' HD1' HE21 ' C' ' 331' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.846 0.355 . . . . 0.0 110.847 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -140.34 140.57 35.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.31 121.21 44.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.7 HD13 ' CE2' ' C' ' 338' ' ' PHE . 13.9 tp -124.48 120.54 32.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -93.48 111.94 23.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.654 HG23 ' OD1' ' C' ' 345' ' ' ASN . 3.8 mp -102.95 124.54 57.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.407 ' HG3' ' CE1' ' C' ' 327' ' ' TYR . 21.3 ttp180 -97.76 74.52 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.52 138.05 2.55 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 8.5 ttp85 -72.78 -47.9 42.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -70.71 -40.63 72.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.8 ' HG2' HD22 ' C' ' 348' ' ' LEU . 2.0 tpp180 -59.12 -51.43 70.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.668 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -60.33 -45.05 94.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.172 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.17 -32.76 64.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.455 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.541 ' O ' HD12 ' D' ' 344' ' ' LEU . 13.4 ttm -67.02 -60.85 2.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.138 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.524 ' HE2' HD13 ' C' ' 344' ' ' LEU . 4.6 m-85 -60.62 -28.16 68.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.745 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -69.33 -36.6 77.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.01 0.433 . . . . 0.0 110.13 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -77.82 -32.27 52.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.294 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.983 HD21 HD21 ' A' ' 344' ' ' LEU . 1.9 mp -73.66 -31.16 63.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.501 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -72.9 -44.15 61.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.71 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -70.6 -33.79 71.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.742 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.85 -33.43 62.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.769 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.1 mm? -71.38 -31.73 67.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.67 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -66.82 -31.68 72.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.5 mt -73.17 -39.23 65.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -68.11 -31.26 70.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -67.81 -31.61 71.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.13 72.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.433 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 29.5 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.839 0.352 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -137.04 110.94 8.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.57 HG23 ' HG3' ' B' ' 331' ' ' GLN . 2.6 m -90.73 141.72 28.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.725 HD23 HD11 ' A' ' 332' ' ' ILE . 21.1 tp -137.64 108.39 6.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.493 ' HG2' HG22 ' B' ' 329' ' ' THR . 3.8 mm-40 -79.87 84.14 5.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.725 HD11 HD23 ' A' ' 330' ' ' LEU . 5.0 mt -86.76 123.7 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -91.25 75.32 6.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -166.22 128.65 1.79 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -74.31 -46.32 41.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.807 0.337 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -74.68 -45.83 41.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.648 ' CG ' HD13 ' B' ' 348' ' ' LEU . 4.3 ttm180 -57.17 -47.99 79.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.737 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -60.04 -45.93 91.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.355 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -55.38 -34.34 64.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.573 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.33 -58.88 4.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.207 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.411 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.3 m-85 -59.2 -29.52 67.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.644 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -64.99 -39.91 94.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.947 0.403 . . . . 0.0 110.153 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -75.52 -33.52 60.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.287 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.525 HD22 HD11 ' D' ' 344' ' ' LEU . 86.6 mt -72.22 -29.14 63.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.407 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.479 ' ND2' HG12 ' B' ' 332' ' ' ILE . 2.2 t30 -72.18 -46.8 54.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.668 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -70.19 -31.18 68.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.781 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.97 -34.01 51.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.038 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.651 HD13 ' HG2' ' B' ' 337' ' ' ARG . 13.1 mt -77.74 -30.21 51.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.767 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -77.57 -29.88 52.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 10.0 mt -74.31 -31.71 62.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -69.57 -31.02 68.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.95 -31.62 63.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.25 -40.05 62.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.842 0.353 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.414 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 4.3 m-85 -129.53 140.74 51.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.493 HG22 ' HG2' ' A' ' 331' ' ' GLN . 0.8 OUTLIER -103.3 149.33 24.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.868 ' CD2' HD11 ' B' ' 332' ' ' ILE . 11.7 tp -132.11 90.16 2.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.57 ' HG3' HG23 ' A' ' 329' ' ' THR . 24.6 mp0 -84.95 96.26 9.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.868 HD11 ' CD2' ' B' ' 330' ' ' LEU . 4.8 mt -112.62 144.79 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.433 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -98.12 35.6 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.07 126.78 4.93 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -73.44 -35.45 65.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.792 0.33 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -73.43 -46.89 45.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.651 ' HG2' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -56.79 -47.07 81.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.679 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.409 ' CE1' HD13 ' A' ' 330' ' ' LEU . 10.6 t80 -59.15 -46.46 88.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.382 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -54.23 -35.18 62.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.62 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.8 ttm -65.96 -59.31 3.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.216 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.483 ' HE2' HD13 ' B' ' 332' ' ' ILE . 4.5 m-85 -61.05 -29.75 69.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.769 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -36.78 78.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.931 0.396 . . . . 0.0 110.078 179.309 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -80.01 -30.6 39.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.201 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.866 HD21 HD11 ' C' ' 344' ' ' LEU . 11.1 mt -76.94 -30.01 55.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.588 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.656 ' OD1' HG23 ' A' ' 332' ' ' ILE . 18.6 t30 -76.37 -40.58 50.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.659 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -74.3 -31.96 62.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.724 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.594 ' HB2' ' HE2' ' C' ' 351' ' ' LYS . . . -77.38 -31.11 54.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.953 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.753 HD12 ' O ' ' B' ' 344' ' ' LEU . 0.4 OUTLIER -75.55 -32.2 60.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.694 179.839 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -74.08 -29.19 61.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.754 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.55 -36.53 73.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.613 ' HD2' ' HB2' ' C' ' 347' ' ' ALA . 10.7 mtpp -66.44 -31.94 73.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -64.87 -31.89 73.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.86 -34.11 68.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.069 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.788 0.328 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -134.36 129.84 36.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.93 101.12 11.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.703 ' CD2' HD11 ' C' ' 332' ' ' ILE . 5.8 tp -83.69 109.35 17.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.726 ' HG2' HG23 ' D' ' 329' ' ' THR . 75.1 mt-30 -108.11 124.85 50.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.703 HD11 ' CD2' ' C' ' 330' ' ' LEU . 3.8 mp -130.77 153.57 39.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ptt-85 -98.56 32.15 2.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.93 124.27 3.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.511 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -69.18 -33.64 73.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.737 0.304 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -76.27 -51.52 11.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.646 ' CG ' HD13 ' D' ' 348' ' ' LEU . 5.0 mtm180 -55.95 -43.8 77.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.67 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -61.58 -47.54 85.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.347 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -54.84 -33.5 61.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.662 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttm -66.58 -58.39 5.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.318 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.431 ' CD2' ' CD2' ' D' ' 341' ' ' PHE . 3.7 m-85 -60.45 -30.12 69.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.803 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.442 ' HA ' HD21 ' D' ' 330' ' ' LEU . 0.0 OUTLIER -67.71 -36.81 81.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.183 179.439 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -79.11 -31.1 44.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.201 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.866 HD11 HD21 ' B' ' 344' ' ' LEU . 0.1 OUTLIER -75.76 -32.55 60.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.477 179.557 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.515 ' OD1' HG23 ' D' ' 332' ' ' ILE . 51.6 t30 -73.36 -40.88 64.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.707 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.533 ' O ' HD12 ' C' ' 350' ' ' LEU . 15.7 tt0 -72.08 -35.32 69.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.708 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.613 ' HB2' ' HD2' ' B' ' 351' ' ' LYS . . . -74.61 -33.36 62.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.746 HD13 ' CG ' ' D' ' 337' ' ' ARG . 1.7 mt -72.94 -30.18 63.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.71 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -69.12 -29.82 67.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.533 HD12 ' O ' ' C' ' 346' ' ' GLU . 1.2 mp -64.82 -41.88 95.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.594 ' HE2' ' HB2' ' B' ' 347' ' ' ALA . 1.2 mptp? -61.49 -30.92 70.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.85 -32.5 69.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.37 -33.51 65.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.782 0.325 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.403 ' CD2' ' N ' ' D' ' 328' ' ' PHE . 6.9 m-85 -107.24 124.65 50.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.726 HG23 ' HG2' ' C' ' 331' ' ' GLN . 1.3 m -92.8 137.0 32.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.442 HD21 ' HA ' ' C' ' 342' ' ' ARG . 15.9 tp -130.6 97.12 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -67.86 117.86 10.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.515 HG23 ' OD1' ' C' ' 345' ' ' ASN . 30.6 mt -136.86 132.49 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -95.55 42.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -126.77 109.77 1.15 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -60.9 -48.87 79.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.852 0.358 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -68.33 -41.36 80.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.746 ' CG ' HD13 ' C' ' 348' ' ' LEU . 4.0 mtm180 -58.29 -45.61 87.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.769 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -59.33 -48.16 82.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -54.29 -33.75 59.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.631 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.3 mmm -66.61 -58.88 4.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.317 179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.431 ' CD2' ' CD2' ' C' ' 341' ' ' PHE . 3.3 m-85 -61.54 -29.75 70.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.777 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -70.17 -37.85 75.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.981 0.42 . . . . 0.0 110.17 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -78.81 -32.11 46.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.205 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.525 HD11 HD22 ' A' ' 344' ' ' LEU . 0.4 OUTLIER -75.06 -28.7 60.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.504 179.511 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.43 ' OD1' HG23 ' C' ' 332' ' ' ILE . 38.3 t30 -75.25 -43.96 48.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.665 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -72.71 -32.08 65.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.709 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.94 -30.07 50.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.988 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.646 HD13 ' CG ' ' C' ' 337' ' ' ARG . 7.9 mt -76.99 -29.18 55.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -74.4 -31.32 62.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 11.6 mt -74.49 -43.75 54.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.802 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -28.62 64.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.811 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -75.32 -31.04 60.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.845 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.32 -30.95 68.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.417 ' CE2' ' HB2' ' B' ' 333' ' ' ARG . 23.3 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.834 0.35 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -129.57 122.55 29.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.917 HG23 ' HG2' ' B' ' 331' ' ' GLN . 0.2 OUTLIER -100.24 140.69 34.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 330' ' ' LEU . 13.1 tp -137.39 114.19 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -86.54 89.03 7.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.628 HG23 ' OD1' ' B' ' 345' ' ' ASN . 5.0 mt -94.77 130.17 43.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.013 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -95.07 43.97 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -129.4 120.67 3.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -70.0 -48.62 57.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.83 0.348 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -71.6 -48.77 45.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -56.65 -40.72 75.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.752 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -61.45 -49.07 78.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.449 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.02 -33.65 57.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.71 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.4 ttp -66.73 -57.95 6.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.388 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.69 -30.41 69.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.758 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -69.19 -42.16 76.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.083 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -73.98 -31.07 62.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.027 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 1.005 HD11 HD11 ' D' ' 344' ' ' LEU . 0.1 OUTLIER -71.78 -40.42 69.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.38 179.421 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.573 ' OD1' HG23 ' B' ' 332' ' ' ILE . 8.9 t30 -64.07 -41.03 97.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.641 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.718 ' O ' HD23 ' A' ' 350' ' ' LEU . 5.9 tt0 -67.99 -32.5 72.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.764 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.22 -39.06 78.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.985 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.583 HD13 ' HD2' ' A' ' 351' ' ' LYS . 3.6 mm? -65.66 -40.14 92.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.738 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -62.29 -30.55 71.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.7 mm? -67.87 -49.47 61.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.583 ' HD2' HD13 ' A' ' 348' ' ' LEU . 0.3 OUTLIER -63.81 -31.12 72.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.71 -33.39 62.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.86 -32.02 51.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.822 0.344 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.427 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 5.8 m-85 -116.24 100.22 7.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.4 m -70.56 151.24 45.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.595 ' CD2' HD11 ' B' ' 332' ' ' ILE . 26.0 tp -147.53 108.51 4.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.917 ' HG2' HG23 ' A' ' 329' ' ' THR . 5.4 mm-40 -96.41 102.71 14.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.595 HD11 ' CD2' ' B' ' 330' ' ' LEU . 5.1 mt -110.73 141.61 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.057 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.417 ' HB2' ' CE2' ' A' ' 327' ' ' TYR . 10.0 ttt-85 -97.77 37.89 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.09 119.92 2.63 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -69.17 -36.29 77.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.32 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -75.59 -50.88 14.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -56.38 -43.85 79.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.669 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -61.5 -46.66 89.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.385 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -55.35 -33.96 63.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.64 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 22.9 ttm -66.51 -58.02 6.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.348 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -61.6 -30.34 70.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.685 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.42 -35.2 77.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.985 0.422 . . . . 0.0 110.243 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -80.14 -31.48 39.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.313 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.79 ' O ' HD23 ' B' ' 348' ' ' LEU . 1.9 mt -76.1 -29.92 58.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.571 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.628 ' OD1' HG23 ' A' ' 332' ' ' ILE . 43.4 t30 -75.94 -41.96 50.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.608 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.476 ' O ' HD23 ' B' ' 350' ' ' LEU . 3.6 mm-40 -73.11 -31.96 64.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.734 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.23 -31.07 58.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.974 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.812 HD13 ' HD3' ' B' ' 351' ' ' LYS . 3.1 mm? -74.26 -34.23 63.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.747 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -69.29 -33.43 73.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.476 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.6 mm? -72.66 -45.68 57.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.772 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.812 ' HD3' HD13 ' B' ' 348' ' ' LEU . 6.1 ptmt -72.5 -29.15 63.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.788 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -79.26 -29.69 42.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.33 -30.82 54.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.77 0.319 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -127.21 97.12 4.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.39 95.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.749 HD12 ' CD1' ' D' ' 338' ' ' PHE . 6.7 tt -89.68 115.21 26.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.586 ' HG2' HG23 ' D' ' 329' ' ' THR . 42.2 mt-30 -91.94 133.24 35.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.446 HG22 ' H ' ' C' ' 334' ' ' GLY . 3.7 mp -125.93 133.17 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 48.2 ttp85 -98.31 33.79 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.446 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -141.24 129.59 4.11 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -68.6 -39.69 80.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.788 0.328 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -74.02 -49.71 23.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.3 mtm105 -56.64 -42.6 79.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.765 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -61.37 -47.66 84.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.451 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -54.87 -33.38 61.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.547 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.6 ttm -66.51 -59.1 3.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.278 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -60.92 -30.48 70.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.724 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.9 ttt-85 -67.74 -33.91 75.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.996 0.427 . . . . 0.0 110.116 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.49 -31.7 42.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.233 179.336 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.736 HD21 ' CG ' ' B' ' 344' ' ' LEU . 1.2 mt -74.96 -33.18 61.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.495 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.3 -41.19 63.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.59 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.2 -36.28 71.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.693 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.81 -32.08 69.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.567 HD11 ' HD2' ' D' ' 337' ' ' ARG . 13.4 mt -69.19 -41.08 77.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.597 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -74.4 -25.22 59.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.571 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' C' ' 350' ' ' LEU . 8.8 tp -78.51 -37.69 42.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -73.56 -30.54 63.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.71 -30.99 61.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.92 -30.73 50.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.811 0.339 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -152.05 127.3 9.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.586 HG23 ' HG2' ' C' ' 331' ' ' GLN . 0.6 OUTLIER -99.04 125.58 44.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 6.4 tp -130.96 99.26 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -61.2 124.98 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.458 HD13 ' HD1' ' D' ' 341' ' ' PHE . 4.8 mt -127.25 116.4 43.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.092 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -83.46 78.82 9.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.97 136.63 3.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.58 -64.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -60.59 -38.71 85.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.567 ' HD2' HD11 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -59.85 -52.16 66.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.691 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.749 ' CD1' HD12 ' C' ' 330' ' ' LEU . 8.0 t80 -61.37 -44.53 97.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.134 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -57.16 -32.42 66.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.382 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.6 mtp -67.08 -61.09 2.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.115 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.458 ' HD1' HD13 ' D' ' 332' ' ' ILE . 3.0 m-85 -61.93 -28.08 69.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.796 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -73.97 -40.08 63.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.969 0.414 . . . . 0.0 110.065 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -75.88 -30.87 58.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.225 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 1.005 HD11 HD11 ' A' ' 344' ' ' LEU . 1.1 tp -72.59 -31.19 65.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.58 179.626 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -73.04 -45.96 54.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.718 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.76 -30.72 67.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.734 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.64 -33.19 58.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.726 HD23 ' O ' ' D' ' 344' ' ' LEU . 2.4 mm? -73.14 -31.11 64.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.737 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -69.86 -29.87 67.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 11.4 mt -69.33 -43.91 72.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -61.63 -35.14 77.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.94 -33.9 70.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.45 -31.53 69.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.826 0.345 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -137.57 101.8 4.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.08 152.33 39.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.453 HD13 ' CE1' ' B' ' 338' ' ' PHE . 12.9 tp -156.92 116.95 3.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -92.77 83.25 4.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.494 ' H ' HD12 ' A' ' 332' ' ' ILE . 3.6 mp -74.76 128.69 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.65 34.06 2.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.494 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -133.93 107.02 0.64 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.9 ttm-85 -59.27 -31.66 69.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 111.033 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.67 -60.81 2.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.668 ' HB3' HD13 ' B' ' 348' ' ' LEU . 5.5 ptp85 -55.82 -40.82 73.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.41 ' CZ ' ' HD2' ' A' ' 342' ' ' ARG . 3.7 t80 -63.64 -39.25 93.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.304 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -57.4 -41.26 79.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.577 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.564 ' O ' HD12 ' A' ' 344' ' ' LEU . 12.5 ttm -62.37 -55.76 24.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.418 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.423 ' CE1' ' HA ' ' B' ' 341' ' ' PHE . 3.9 m-85 -58.98 -31.34 68.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.697 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.41 ' HD2' ' CZ ' ' A' ' 338' ' ' PHE . 5.5 tpm_? -63.4 -37.3 86.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.261 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -78.35 -32.13 48.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.363 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.701 HD21 HD21 ' D' ' 344' ' ' LEU . 2.7 mp -76.65 -29.54 56.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.639 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.545 ' ND2' HD21 ' B' ' 330' ' ' LEU . 15.9 m-20 -75.4 -39.6 58.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.745 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -75.09 -31.35 61.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.772 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.33 -30.76 48.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.026 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.864 HD13 ' HD3' ' B' ' 337' ' ' ARG . 4.7 mt -77.39 -30.78 53.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.766 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -74.14 -30.48 62.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.807 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.8 mt -69.96 -34.89 73.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -63.83 -31.45 72.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -72.06 -33.69 68.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.65 -32.35 72.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.806 0.336 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -153.09 124.47 7.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.5 m -94.56 147.63 23.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.993 HD23 HD11 ' B' ' 332' ' ' ILE . 15.5 tp -148.29 151.69 35.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -139.06 109.07 6.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.993 HD11 HD23 ' B' ' 330' ' ' LEU . 3.5 mp -110.33 151.38 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -106.16 34.57 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.13 131.92 6.61 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 -71.93 -52.31 17.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -64.97 -38.79 92.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.864 ' HD3' HD13 ' A' ' 348' ' ' LEU . 13.3 ttp180 -59.56 -52.39 65.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.453 ' CE1' HD13 ' A' ' 330' ' ' LEU . 8.9 t80 -61.11 -45.28 95.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.089 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -56.79 -31.91 65.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.409 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.4 ttm -67.24 -60.3 2.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.22 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.46 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 2.2 m-85 -61.42 -28.29 69.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.797 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -72.03 -37.29 69.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.949 0.404 . . . . 0.0 110.408 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.87 -32.12 51.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.32 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.746 HD11 HD21 ' C' ' 344' ' ' LEU . 0.4 OUTLIER -75.06 -31.36 61.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.584 179.599 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -73.53 -41.62 62.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.61 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.477 ' O ' HD12 ' B' ' 350' ' ' LEU . 1.5 tp10 -70.42 -36.58 74.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.709 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.597 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -70.93 -31.34 67.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.668 HD13 ' HB3' ' A' ' 337' ' ' ARG . 3.5 mt -70.76 -38.94 73.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.703 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -65.15 -31.32 72.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.79 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.477 HD12 ' O ' ' B' ' 346' ' ' GLU . 0.9 OUTLIER -66.04 -38.03 87.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.75 -34.45 72.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.65 -32.68 71.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.75 -30.88 45.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.865 0.364 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -139.31 98.85 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.3 m -63.53 139.82 58.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' C' ' 330' ' ' LEU . 16.5 tp -151.67 117.99 5.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 -106.72 100.23 9.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.523 HG22 ' H ' ' C' ' 334' ' ' GLY . 3.3 mt -98.36 137.37 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -79.67 -29.56 40.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.969 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.523 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -61.77 118.31 14.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.526 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -76.19 -39.5 54.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -68.0 -53.36 26.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.512 ' HB3' HD13 ' D' ' 348' ' ' LEU . 18.1 ptp180 -56.65 -46.92 80.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.751 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 4.1 t80 -59.24 -39.84 84.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.426 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -56.96 -41.12 77.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.642 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.611 ' O ' HD12 ' C' ' 344' ' ' LEU . 10.2 mtm -62.94 -55.97 21.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.371 179.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -58.83 -30.13 67.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.735 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -63.99 -38.93 92.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.242 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -76.06 -33.69 59.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.346 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.746 HD21 HD11 ' B' ' 344' ' ' LEU . 2.5 mp -73.63 -28.75 61.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.529 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.5 ' ND2' HD21 ' D' ' 330' ' ' LEU . 1.2 m-80 -73.52 -43.65 59.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.72 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -72.68 -32.18 65.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.749 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.84 -30.61 51.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.975 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.509 HD13 ' CD ' ' D' ' 337' ' ' ARG . 8.9 mt -76.66 -29.67 56.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.827 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -73.77 -31.63 63.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 9.1 mt -69.93 -38.32 76.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.597 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 4.1 mtmp? -67.24 -41.9 84.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.838 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.21 -31.59 72.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.92 -31.39 61.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.82 0.343 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.426 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 23.8 m-85 -153.66 104.51 2.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.75 117.96 10.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.757 HD23 HD11 ' D' ' 332' ' ' ILE . 6.6 tp -126.57 119.9 28.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -100.94 106.19 17.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.757 HD11 HD23 ' D' ' 330' ' ' LEU . 4.0 mp -97.67 132.31 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -98.39 33.49 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.491 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -137.91 140.99 11.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 48.4 ttt-85 -74.62 -63.0 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.953 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.11 -35.39 73.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.633 ' HG2' HG21 ' D' ' 332' ' ' ILE . 0.1 OUTLIER -61.2 -53.95 50.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.658 179.833 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -61.97 -43.72 98.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.009 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -32.05 66.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.381 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.3 mtp -67.08 -60.19 2.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.218 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.472 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 4.0 m-85 -60.62 -28.47 68.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.734 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -68.2 -38.02 81.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.195 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -77.06 -32.4 56.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.277 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.701 HD21 HD21 ' A' ' 344' ' ' LEU . 0.6 OUTLIER -73.15 -30.32 63.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.49 179.578 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.82 -45.66 57.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.624 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.486 ' O ' HD23 ' D' ' 350' ' ' LEU . 13.5 tp10 -68.98 -32.74 72.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.769 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.46 -31.08 65.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.961 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.512 HD13 ' HB3' ' C' ' 337' ' ' ARG . 17.0 mt -71.46 -40.02 70.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.74 -31.98 73.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.486 HD23 ' O ' ' D' ' 346' ' ' GLU . 2.9 mm? -67.29 -42.3 83.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -60.38 -35.93 76.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -66.57 -34.6 78.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.28 -30.95 54.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.43 ' CE1' ' HG3' ' B' ' 333' ' ' ARG . 12.8 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.86 0.362 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -135.75 117.28 14.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 2.0 m -81.78 135.97 35.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.742 HD23 HD11 ' A' ' 332' ' ' ILE . 20.3 tp -137.53 107.56 6.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -73.12 93.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.742 HD11 HD23 ' A' ' 330' ' ' LEU . 27.1 mm -75.03 111.17 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.407 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 2.0 ttt180 -91.74 76.54 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.62 124.79 0.75 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 3.0 ptt-85 -60.19 -45.18 94.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -74.39 -44.65 51.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.815 ' HG3' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -57.48 -47.86 80.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.767 179.852 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.773 ' CE1' HD12 ' B' ' 330' ' ' LEU . 10.2 t80 -60.15 -46.36 89.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.355 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -55.33 -33.79 63.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.595 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.531 ' CE ' HD22 ' B' ' 344' ' ' LEU . 2.1 ttp -66.36 -59.04 4.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.285 179.453 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.453 ' CD1' HD12 ' A' ' 332' ' ' ILE . 3.1 m-85 -63.14 -29.97 71.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.781 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -72.51 -33.66 67.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 0.0 110.202 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -81.25 -31.34 33.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.293 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.825 HD22 HD22 ' D' ' 344' ' ' LEU . 37.2 mt -77.34 -30.52 53.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.537 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -76.74 -39.67 51.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.533 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.617 ' O ' HD12 ' A' ' 350' ' ' LEU . 16.5 tt0 -70.59 -31.73 68.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.683 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.54 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . . . -72.61 -39.49 67.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 344' ' ' LEU . 3.5 mt -67.73 -33.38 74.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.674 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -65.47 -29.98 70.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.799 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.617 HD12 ' O ' ' A' ' 346' ' ' GLU . 0.7 OUTLIER -67.29 -50.52 59.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.66 -30.24 68.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -75.97 -31.11 58.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.17 -37.22 54.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.407 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 54.3 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.797 0.332 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.401 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 42.4 m-85 -144.71 102.35 3.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.89 125.79 28.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.773 HD12 ' CE1' ' A' ' 338' ' ' PHE . 2.2 tt -128.29 106.38 8.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -83.22 115.1 21.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -108.49 145.78 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.43 ' HG3' ' CE1' ' A' ' 327' ' ' TYR . 0.2 OUTLIER -99.17 36.11 1.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -144.3 127.12 2.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -31.4 66.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -74.15 -47.72 34.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.45 ' CG ' HD13 ' A' ' 348' ' ' LEU . 0.1 OUTLIER -56.67 -47.93 78.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.771 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.668 ' CE1' HD13 ' A' ' 330' ' ' LEU . 8.9 t80 -59.42 -44.91 92.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.464 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -55.56 -36.45 66.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.61 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -66.65 -58.79 4.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.19 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.415 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 3.9 m-85 -61.5 -27.92 68.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.749 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 6.8 ttt85 -69.25 -35.85 76.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.934 0.397 . . . . 0.0 110.117 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -79.13 -31.44 44.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.196 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.762 ' O ' HD12 ' B' ' 348' ' ' LEU . 0.2 OUTLIER -73.02 -31.93 64.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.439 179.427 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.87 -46.81 50.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.646 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -71.75 -30.89 66.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.732 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.26 -30.2 54.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.992 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.815 HD13 ' HG3' ' A' ' 337' ' ' ARG . 0.6 OUTLIER -74.99 -32.74 61.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.793 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -70.06 -31.26 68.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.2 mt -67.97 -37.88 82.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.802 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -31.57 70.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.791 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.29 -34.89 74.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.64 -30.89 57.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.42 ' CZ ' ' HD2' ' D' ' 333' ' ' ARG . 11.7 m-85 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.872 0.368 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.439 ' HB3' ' CD1' ' D' ' 338' ' ' PHE . 66.6 m-85 -150.03 91.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.56 152.83 44.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.688 HD23 HD11 ' C' ' 332' ' ' ILE . 5.4 tp -156.36 104.82 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.779 ' HG3' HG23 ' D' ' 329' ' ' THR . 5.5 mt-30 -96.81 125.3 41.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.688 HD11 HD23 ' C' ' 330' ' ' LEU . 4.6 mt -127.5 149.41 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.64 33.21 2.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -126.11 138.38 10.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -76.09 -66.14 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.33 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -59.74 -38.37 81.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.657 ' HD2' HD22 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -60.11 -53.15 61.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.558 179.761 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.45 ' CD2' ' CB ' ' D' ' 328' ' ' PHE . 8.3 t80 -62.11 -45.3 94.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.897 179.291 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -56.64 -31.38 64.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.272 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.403 ' O ' HD12 ' C' ' 344' ' ' LEU . 3.7 ttm -67.32 -61.78 1.75 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.099 179.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.471 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 2.1 m-85 -61.05 -28.06 68.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.804 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -76.41 -41.96 45.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.225 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -75.74 -29.98 59.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.189 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.753 HD21 HD11 ' B' ' 344' ' ' LEU . 0.4 OUTLIER -74.0 -33.93 63.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.562 179.629 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.515 ' OD1' HG23 ' D' ' 332' ' ' ILE . 61.1 t30 -73.23 -43.43 61.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.757 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -74.65 -31.07 61.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.68 -30.71 41.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.615 HD13 ' HD2' ' D' ' 337' ' ' ARG . 15.8 mt -78.13 -28.97 48.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.799 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.7 -30.53 61.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.739 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.5 mt -68.89 -33.83 74.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.786 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -62.91 -33.84 76.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.54 -33.19 74.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.86 -31.07 51.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.943 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.765 0.317 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.45 ' CB ' ' CD2' ' C' ' 338' ' ' PHE . 7.2 m-85 -137.99 123.0 19.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.779 HG23 ' HG3' ' C' ' 331' ' ' GLN . 0.8 OUTLIER -99.15 142.17 30.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.891 HD23 HD11 ' D' ' 332' ' ' ILE . 17.6 tp -139.72 119.75 13.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.64 93.7 5.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.891 HD11 HD23 ' D' ' 330' ' ' LEU . 4.8 mt -98.51 136.53 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.42 ' HD2' ' CZ ' ' C' ' 327' ' ' TYR . 23.2 mtp180 -95.92 69.92 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -165.36 133.26 2.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.485 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 12.4 ptt-85 -76.46 -38.25 55.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.772 0.32 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -76.86 -43.26 36.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.615 ' HD2' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -59.02 -51.4 70.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.678 179.826 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.493 ' CE1' HD13 ' C' ' 330' ' ' LEU . 7.1 t80 -60.62 -43.17 97.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.224 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -56.62 -34.15 66.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.465 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.5 ttp -66.95 -60.74 2.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.163 179.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.447 ' CE2' ' HG3' ' D' ' 337' ' ' ARG . 3.4 m-85 -61.48 -27.41 68.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.703 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -33.01 72.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.107 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -77.11 -33.6 56.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.359 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.825 HD22 HD22 ' A' ' 344' ' ' LEU . 73.9 mt -72.3 -36.01 68.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.544 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -68.91 -41.56 78.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.536 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -66.4 -41.03 89.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.685 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.484 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -74.85 -17.27 60.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.143 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.657 HD22 ' HD2' ' C' ' 337' ' ' ARG . 4.3 tp -84.88 -27.38 26.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.836 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -77.66 -29.04 51.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.268 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.544 ' C ' HD12 ' D' ' 350' ' ' LEU . 2.9 pp -77.35 -34.35 55.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.741 0.305 . . . . 0.0 111.072 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.54 ' HE3' ' HB2' ' A' ' 347' ' ' ALA . 0.8 OUTLIER -74.44 -29.73 61.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.781 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -71.56 -31.14 66.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.58 -31.37 70.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.756 0.312 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.434 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 31.7 m-85 -132.7 94.55 3.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 18.3 m -79.6 105.33 10.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.631 HD23 HD11 ' A' ' 332' ' ' ILE . 21.8 tp -99.67 111.1 23.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.692 ' HG3' HG23 ' B' ' 329' ' ' THR . 16.0 tt0 -90.31 83.78 5.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.684 HG23 ' OD1' ' B' ' 345' ' ' ASN . 3.7 mp -78.42 144.72 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.404 ' HB3' ' CZ ' ' B' ' 327' ' ' TYR . 0.7 OUTLIER -98.68 32.36 2.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.33 114.2 1.5 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -59.73 -46.72 88.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -70.38 -41.82 72.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.522 ' HD3' HD12 ' B' ' 348' ' ' LEU . 1.4 ttm180 -58.18 -45.32 87.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.75 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.479 ' CE1' HD13 ' B' ' 330' ' ' LEU . 13.3 t80 -59.97 -48.89 79.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.468 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -54.28 -32.92 57.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.55 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.506 ' O ' HD12 ' A' ' 344' ' ' LEU . 6.5 ttm -66.87 -59.14 3.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.273 179.482 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.418 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 3.8 m-85 -59.62 -28.71 67.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.814 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -37.41 83.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.191 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -77.93 -31.93 51.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.311 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.845 HD23 HD21 ' D' ' 344' ' ' LEU . 2.6 mp -75.44 -30.76 60.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.61 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -74.34 -40.61 62.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.766 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.681 ' O ' HD23 ' A' ' 350' ' ' LEU . 4.3 tt0 -73.01 -34.12 66.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.773 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.64 -32.78 58.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.737 HD13 ' HG2' ' B' ' 337' ' ' ARG . 3.4 mt -74.78 -28.23 60.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.704 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -71.46 -29.47 64.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.767 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.681 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.8 mm? -71.56 -48.18 50.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.552 ' HD2' HD23 ' A' ' 348' ' ' LEU . 2.5 ptpt -67.58 -30.29 69.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -73.06 -31.23 64.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.67 -31.1 69.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.404 ' CZ ' ' HB3' ' A' ' 333' ' ' ARG . 17.1 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.791 0.329 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -145.54 135.22 23.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.692 HG23 ' HG3' ' A' ' 331' ' ' GLN . 0.8 OUTLIER -103.45 114.05 28.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.98 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 1.045 HD23 HD11 ' B' ' 332' ' ' ILE . 15.7 tp -107.07 97.29 7.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -77.7 102.2 6.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 1.045 HD11 HD23 ' B' ' 330' ' ' LEU . 4.8 mt -113.32 141.5 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.065 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -99.63 36.74 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -127.4 120.98 3.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -71.44 -36.19 71.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -76.35 -51.25 12.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.737 ' HG2' HD13 ' A' ' 348' ' ' LEU . 2.1 mtm105 -56.34 -43.3 78.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.693 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 11.8 t80 -62.04 -47.47 84.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.374 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -55.27 -32.61 62.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.561 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.545 ' O ' HD12 ' B' ' 344' ' ' LEU . 9.4 ttm -66.88 -59.09 3.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.254 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.418 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 4.3 m-85 -60.59 -30.53 69.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.775 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -68.01 -34.14 75.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.974 0.416 . . . . 0.0 110.105 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -81.3 -31.49 33.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.201 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.681 ' CG ' HD21 ' C' ' 344' ' ' LEU . 1.8 mp -77.14 -32.3 56.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.444 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.684 ' OD1' HG23 ' A' ' 332' ' ' ILE . 51.6 t30 -77.27 -40.31 45.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.523 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.78 -29.76 61.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.583 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.96 -31.94 59.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.939 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.522 HD12 ' HD3' ' A' ' 337' ' ' ARG . 13.3 mt -74.3 -37.95 63.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.736 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -72.38 -30.23 64.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.754 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.448 ' HA ' HD22 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -71.27 -32.34 68.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -66.22 -31.61 72.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -68.06 -32.99 73.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.72 -31.25 72.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.927 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.851 0.357 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.428 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 21.1 m-85 -121.94 125.78 47.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 8.0 m -82.15 105.23 13.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.987 HD23 HD11 ' C' ' 332' ' ' ILE . 14.3 tp -106.59 116.09 31.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -83.33 92.94 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.987 HD11 HD23 ' C' ' 330' ' ' LEU . 24.0 mm -81.88 119.44 31.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -98.42 30.61 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.544 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -137.0 119.96 2.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.435 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -59.89 -44.75 94.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.768 0.318 . . . . 0.0 110.935 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.88 -43.26 62.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.621 ' HG3' HD13 ' D' ' 348' ' ' LEU . 4.4 ttm180 -57.25 -47.64 80.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.743 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.734 ' CE2' HD13 ' D' ' 330' ' ' LEU . 12.3 t80 -59.63 -48.05 83.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.337 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -32.99 59.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.649 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.7 ttm -66.75 -58.71 4.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.354 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.423 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.6 m-85 -61.27 -29.8 70.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.859 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -36.48 75.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.968 0.413 . . . . 0.0 110.154 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -79.89 -30.91 40.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.248 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.681 HD21 ' CG ' ' B' ' 344' ' ' LEU . 0.9 OUTLIER -76.55 -29.86 56.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.515 179.604 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -76.17 -41.47 49.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.723 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.689 ' O ' HD23 ' C' ' 350' ' ' LEU . 3.7 mt-10 -74.27 -32.03 62.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.704 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.82 -31.03 51.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.706 HD13 ' HG3' ' D' ' 337' ' ' ARG . 14.8 mt -75.76 -30.96 59.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.745 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -71.24 -30.53 66.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.689 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.7 mm? -69.22 -43.21 74.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -62.27 -31.01 71.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.98 -31.51 68.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.5 -41.7 62.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.802 0.334 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -134.32 95.27 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.4 104.54 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.734 HD13 ' CE2' ' C' ' 338' ' ' PHE . 32.3 tp -108.26 122.63 47.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.12 83.12 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.801 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.543 HD11 HD23 ' D' ' 330' ' ' LEU . 4.6 mt -81.8 142.75 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -104.99 -174.42 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 63.48 122.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 7.5 tpt85 -64.16 -30.12 71.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.73 0.3 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -74.19 -56.21 5.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.706 ' HG3' HD13 ' C' ' 348' ' ' LEU . 1.2 ttm180 -55.5 -42.01 73.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.717 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.428 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 9.1 t80 -63.06 -45.34 92.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.323 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.65 -34.25 64.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.597 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttm -66.67 -58.73 4.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.265 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.501 ' CE1' HG21 ' D' ' 332' ' ' ILE . 2.9 m-85 -63.42 -29.61 70.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.681 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.404 ' HG3' ' CE1' ' D' ' 338' ' ' PHE . 2.3 tmt_? -71.29 -33.98 70.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.97 0.414 . . . . 0.0 110.168 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -81.95 -31.2 31.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.235 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.845 HD21 HD23 ' A' ' 344' ' ' LEU . 12.0 mt -78.35 -29.32 47.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.569 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -78.58 -38.75 39.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.682 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -76.1 -30.25 58.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.638 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.48 ' HB2' ' CE ' ' A' ' 351' ' ' LYS . . . -78.11 -31.53 50.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.714 HD12 ' O ' ' D' ' 344' ' ' LEU . 0.7 OUTLIER -76.27 -33.4 59.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.701 179.845 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -75.91 -26.48 57.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.715 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.18 -37.68 61.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.526 ' HD3' HD23 ' D' ' 348' ' ' LEU . 12.6 ptmm? -68.76 -31.49 70.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.4 -31.17 68.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.06 -31.26 69.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.405 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 14.3 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.838 0.351 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.429 ' N ' ' CD1' ' A' ' 328' ' ' PHE . 4.2 m-85 -110.92 127.59 55.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 3.8 m -82.23 144.67 30.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.74 HD23 HD11 ' A' ' 332' ' ' ILE . 18.2 tp -147.84 103.47 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -83.91 87.28 7.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.74 HD11 HD23 ' A' ' 330' ' ' LEU . 3.6 mp -89.21 142.87 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -106.11 77.55 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.33 125.77 1.07 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -74.17 -34.78 63.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.763 0.316 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -75.25 -52.63 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.4 ttm105 -56.45 -39.33 72.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.732 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.416 ' CE1' ' HG3' ' A' ' 342' ' ' ARG . 12.1 t80 -63.31 -48.49 77.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.319 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -53.98 -34.49 59.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.638 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.469 ' O ' HD12 ' A' ' 344' ' ' LEU . 8.3 ttm -65.49 -58.38 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.251 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.501 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 3.6 m-85 -60.44 -31.93 70.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.416 ' HG3' ' CE1' ' A' ' 338' ' ' PHE . 0.2 OUTLIER -68.81 -36.22 77.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.963 0.411 . . . . 0.0 110.233 179.491 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -80.27 -29.93 38.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.32 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.714 ' CG ' HD21 ' D' ' 344' ' ' LEU . 1.3 mp -78.47 -32.59 48.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.566 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -78.55 -37.87 41.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.601 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -77.57 -28.77 51.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.605 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.86 -32.28 40.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.583 HD13 ' CD ' ' B' ' 337' ' ' ARG . 3.9 mt -77.78 -31.28 51.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.632 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -75.4 -26.16 58.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.664 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -72.25 -39.61 68.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -66.59 -29.29 69.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -69.94 -31.83 69.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.48 -31.3 60.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.812 0.339 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 6.3 m-85 -124.95 128.68 48.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.81 132.08 41.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 23.3 tp -141.01 113.45 8.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -92.68 87.69 5.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.55 ' H ' HD12 ' B' ' 332' ' ' ILE . 3.6 mp -72.42 137.14 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.405 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -97.27 79.0 2.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.87 127.78 1.0 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.537 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -61.62 -58.09 9.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -61.93 -35.89 79.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.583 ' CD ' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -61.23 -54.56 42.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.558 179.874 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.564 ' CE2' HD13 ' A' ' 330' ' ' LEU . 6.9 t80 -60.95 -43.39 98.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.135 179.416 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -32.11 67.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.414 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.4 ttm -67.63 -60.35 2.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.235 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.501 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 3.5 m-85 -61.13 -26.84 67.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.736 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -69.97 -35.82 74.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.271 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.0 -31.92 39.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.273 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.794 ' O ' HD23 ' B' ' 348' ' ' LEU . 0.4 OUTLIER -76.43 -30.57 57.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.5 179.527 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -75.15 -40.67 59.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.667 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.652 ' O ' HD23 ' B' ' 350' ' ' LEU . 3.7 tt0 -71.21 -33.73 70.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.707 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.0 -34.25 68.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.794 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.5 mm? -69.58 -38.38 77.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.649 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -63.55 -29.99 71.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.782 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.652 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.8 mm? -68.44 -50.12 54.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.52 ' HD2' HD13 ' B' ' 348' ' ' LEU . 17.8 ptpt -61.54 -30.91 70.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -67.09 -31.95 72.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.69 -31.52 46.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.075 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.826 0.346 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.444 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 17.1 m-85 -153.31 103.82 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.9 m -61.28 142.85 56.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.437 HD13 ' HD2' ' D' ' 342' ' ' ARG . 17.5 tp -147.79 105.66 3.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -85.48 83.68 7.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.554 ' H ' HD12 ' C' ' 332' ' ' ILE . 3.6 mp -69.16 128.33 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.444 ' CG ' ' CE1' ' D' ' 327' ' ' TYR . 0.0 OUTLIER -99.98 74.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 169.09 119.77 0.5 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.444 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.0 ptm85 -60.25 -35.19 74.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -74.3 -48.93 25.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -57.06 -42.33 80.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.722 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -61.56 -48.17 82.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.444 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -54.75 -33.22 60.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.591 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.9 ttm -66.71 -58.5 4.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.339 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.63 -30.0 69.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.737 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -35.63 79.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.177 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -79.57 -31.49 41.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.289 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.796 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.9 OUTLIER -75.21 -30.0 60.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.588 179.537 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -75.68 -42.91 49.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.71 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.57 -30.17 62.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.72 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.06 -30.79 49.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.03 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.796 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.5 mm? -76.48 -31.91 58.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.754 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.76 -31.12 64.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.817 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 mt -68.97 -36.53 78.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -62.66 -32.49 73.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.5 -31.49 72.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.12 -31.79 73.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.444 ' CE1' ' CG ' ' C' ' 333' ' ' ARG . 43.7 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.802 0.334 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -121.03 103.05 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.83 134.21 49.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.596 HD23 HD11 ' D' ' 332' ' ' ILE . 10.3 tp -141.82 115.41 9.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -90.1 132.18 35.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.596 HD11 HD23 ' D' ' 330' ' ' LEU . 3.8 mp -137.26 129.96 43.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 21.0 ttp85 -72.68 -31.13 64.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.442 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -61.9 116.74 9.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.514 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 37.8 ttp85 -74.02 -35.77 64.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.332 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -73.03 -47.59 43.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.7 mtm105 -58.71 -41.25 85.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.689 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.444 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 11.6 t80 -61.45 -47.12 87.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.482 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -54.33 -36.48 63.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.68 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.5 ttm -65.99 -57.85 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.277 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.38 -29.88 70.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.684 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.437 ' HD2' HD13 ' C' ' 330' ' ' LEU . 1.7 tpm_? -69.06 -34.81 75.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.204 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -79.84 -31.54 40.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.288 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.808 ' O ' HD23 ' D' ' 348' ' ' LEU . 0.5 OUTLIER -75.38 -30.72 60.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.562 179.586 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.417 ' OD1' HG23 ' C' ' 332' ' ' ILE . 42.0 t30 -75.45 -42.04 54.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.691 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -71.82 -30.33 65.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.642 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.79 -34.58 64.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.03 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.808 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.6 mm? -71.27 -37.84 71.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.774 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -70.67 -30.44 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -38.77 69.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -66.19 -31.46 72.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.98 -36.17 79.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.21 -31.53 72.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.064 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.859 0.361 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.428 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 15.6 m-85 -153.17 98.95 2.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.414 HG23 ' HG3' ' B' ' 331' ' ' GLN . 0.2 OUTLIER -65.6 134.66 53.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.809 HD13 ' CE2' ' B' ' 338' ' ' PHE . 6.9 tp -141.48 124.09 15.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -104.5 140.9 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.592 HG23 ' CZ ' ' A' ' 337' ' ' ARG . 3.9 mp -133.5 135.85 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.24 35.17 2.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.408 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -145.32 139.81 8.61 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -33.57 48.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.766 0.317 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.39 -34.91 31.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.722 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.635 ' CD ' HD13 ' B' ' 348' ' ' LEU . 0.1 OUTLIER -65.87 -50.63 63.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.471 179.671 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.419 ' CE2' HD22 ' B' ' 330' ' ' LEU . 5.9 t80 -64.33 -42.54 96.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.927 179.228 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -58.42 -32.34 68.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.333 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 3.8 ttp -66.98 -60.03 2.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.248 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.465 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 3.4 m-85 -62.13 -28.88 69.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.757 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -71.37 -37.57 71.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.922 0.392 . . . . 0.0 110.121 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -78.11 -31.23 49.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.235 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.816 ' O ' HD23 ' A' ' 348' ' ' LEU . 62.1 mt -75.04 -30.45 61.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.587 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.684 ' ND2' HD12 ' B' ' 332' ' ' ILE . 8.2 m-20 -74.53 -42.51 58.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.714 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -71.48 -32.41 68.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.23 -32.0 61.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.047 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.816 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.5 mm? -73.32 -33.68 65.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.804 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -68.49 -31.59 70.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 mt -70.25 -32.32 70.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -65.69 -31.76 72.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.819 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.58 -31.95 72.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.75 -31.24 71.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.811 0.339 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -129.89 106.06 8.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.49 152.75 42.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.479 HD23 HD11 ' B' ' 332' ' ' ILE . 12.1 tp -157.21 121.67 4.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.414 ' HG3' HG23 ' A' ' 329' ' ' THR . 3.1 mt-30 -99.87 91.0 4.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.684 HD12 ' ND2' ' A' ' 345' ' ' ASN . 26.4 mm -78.89 137.71 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.9 30.63 4.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.524 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -123.98 136.66 10.35 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.428 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -75.81 -67.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -61.47 -40.97 96.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.813 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.492 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -59.23 -51.14 71.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.657 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.809 ' CE2' HD13 ' A' ' 330' ' ' LEU . 8.7 t80 -61.6 -45.19 95.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.132 179.397 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.29 -32.24 64.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.407 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -67.01 -61.13 2.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.164 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.492 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 5.3 m-85 -59.55 -28.42 67.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.602 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.0 ttp85 -65.94 -35.46 80.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.134 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.1 -32.55 56.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.346 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.699 HD21 HD11 ' C' ' 344' ' ' LEU . 2.5 mp -73.15 -33.01 65.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.521 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.458 ' ND2' HD21 ' A' ' 330' ' ' LEU . 36.3 m-80 -71.49 -42.92 67.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.762 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -71.58 -31.15 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.493 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -76.23 -33.6 59.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.039 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.635 HD13 ' CD ' ' A' ' 337' ' ' ARG . 0.9 OUTLIER -73.94 -30.71 62.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -71.36 -30.57 66.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.773 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 mt -66.94 -38.65 86.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.807 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.689 ' CE ' ' HB2' ' C' ' 347' ' ' ALA . 49.6 mttt -59.9 -31.17 69.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -74.09 -34.37 63.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.36 -37.92 63.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.789 0.328 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -150.44 88.6 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 2.4 m -60.9 126.34 27.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 1.007 HD23 HD11 ' C' ' 332' ' ' ILE . 9.7 tp -121.07 110.85 16.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.628 ' HG3' HG22 ' D' ' 329' ' ' THR . 9.7 mt-30 -84.15 115.5 22.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 1.007 HD11 HD23 ' C' ' 330' ' ' LEU . 4.7 mt -124.6 130.07 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.043 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.41 ' HB3' ' CE2' ' D' ' 327' ' ' TYR . 13.0 ptt180 -95.86 78.28 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.93 128.32 1.28 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.04 -33.17 63.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.11 -54.01 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -56.32 -40.92 75.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.684 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.738 ' CE1' HD12 ' D' ' 330' ' ' LEU . 11.3 t80 -63.35 -47.01 83.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.384 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -55.6 -32.81 63.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.7 ttm -67.3 -58.51 4.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.361 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.554 ' CD2' HD13 ' C' ' 332' ' ' ILE . 3.1 m-85 -61.18 -29.15 69.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.741 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -68.28 -34.12 75.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.212 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -80.16 -32.48 38.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.279 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.699 HD11 HD21 ' B' ' 344' ' ' LEU . 0.7 OUTLIER -76.67 -30.74 56.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.551 179.629 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.439 ' OD1' HG23 ' D' ' 332' ' ' ILE . 4.6 t30 -75.78 -38.92 57.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.661 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -71.57 -31.9 67.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.73 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.689 ' HB2' ' CE ' ' B' ' 351' ' ' LYS . . . -72.98 -37.12 67.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.759 HD13 ' HB3' ' D' ' 337' ' ' ARG . 1.9 mt -69.64 -35.02 74.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.814 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -72.87 -30.65 64.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.04 -32.93 69.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -66.34 -31.47 72.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -65.05 -32.31 73.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.09 -38.69 92.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.41 ' CE2' ' HB3' ' C' ' 333' ' ' ARG . 50.5 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.825 0.345 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -137.12 97.84 3.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.628 HG22 ' HG3' ' C' ' 331' ' ' GLN . 0.7 OUTLIER -70.96 109.23 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.738 HD12 ' CE1' ' C' ' 338' ' ' PHE . 6.9 tt -103.05 100.98 10.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -63.65 111.41 2.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.439 HG23 ' OD1' ' C' ' 345' ' ' ASN . 4.5 mt -112.57 127.34 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.3 ptt85 -106.53 83.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.84 135.05 1.82 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -32.98 58.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.754 0.311 . . . . 0.0 110.962 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -74.88 -54.52 7.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.759 ' HB3' HD13 ' C' ' 348' ' ' LEU . 14.0 ptp180 -56.14 -47.35 78.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.744 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -59.87 -40.42 88.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.312 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -57.21 -39.89 76.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.673 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.434 ' O ' HD12 ' D' ' 344' ' ' LEU . 4.2 mtm -63.51 -55.4 24.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.39 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -59.34 -32.58 70.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.765 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -64.34 -39.6 94.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.189 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -77.97 -30.73 50.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.243 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.617 ' CD2' HD21 ' A' ' 344' ' ' LEU . 1.8 mp -76.97 -31.87 56.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.551 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -73.86 -38.36 64.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.697 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.555 ' O ' HD12 ' D' ' 350' ' ' LEU . 1.5 tp10 -75.3 -30.24 60.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.737 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.36 -28.55 56.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.997 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.49 HD23 ' O ' ' D' ' 344' ' ' LEU . 2.3 mm? -76.8 -40.06 49.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -28.7 61.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.816 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.555 HD12 ' O ' ' D' ' 346' ' ' GLU . 2.8 mt -76.08 -30.75 58.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.793 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -71.01 -30.97 67.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.2 -31.56 64.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.1 -41.42 61.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.843 0.354 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -143.82 102.16 3.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 7.4 m -64.09 150.82 44.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.772 ' HG ' HD11 ' A' ' 332' ' ' ILE . 13.6 tp -146.23 106.14 3.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -105.93 118.53 36.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.772 HD11 ' HG ' ' A' ' 330' ' ' LEU . 3.0 mp -125.64 152.97 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -103.56 33.31 3.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -128.52 134.03 7.92 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.484 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.66 -47.96 24.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.347 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -69.2 -39.72 78.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.467 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 0.9 OUTLIER -59.79 -52.95 63.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.642 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.445 ' CD2' ' CB ' ' B' ' 328' ' ' PHE . 7.8 t80 -61.33 -44.27 97.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.016 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -56.65 -32.48 65.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.379 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.6 ttp -66.79 -60.86 2.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.158 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.467 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 6.0 m-85 -59.04 -27.91 65.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -35.98 80.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.91 0.386 . . . . 0.0 110.122 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -76.85 -36.97 56.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.271 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.773 ' O ' HD23 ' A' ' 348' ' ' LEU . 0.5 OUTLIER -70.51 -28.84 65.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.363 179.421 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -72.06 -47.37 52.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.719 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -69.65 -31.32 69.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.805 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.44 -31.05 57.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.773 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.2 mm? -74.88 -31.37 61.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -72.01 -30.97 65.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.75 -40.21 79.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -64.92 -40.93 95.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -63.92 -31.38 72.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.32 87.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.833 0.349 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.445 ' CB ' ' CD2' ' A' ' 338' ' ' PHE . 20.0 m-85 -137.96 99.75 3.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.91 152.94 38.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 21.7 tp -157.98 112.44 2.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.595 ' C ' HD12 ' B' ' 332' ' ' ILE . 9.0 mp0 -96.28 145.83 25.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.595 HD12 ' C ' ' B' ' 331' ' ' GLN . 3.4 mp -144.48 149.62 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -102.24 35.83 2.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -130.41 137.32 9.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -74.41 -60.76 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -59.58 -34.56 72.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.501 ' HG2' HG21 ' B' ' 332' ' ' ILE . 0.0 OUTLIER -61.28 -54.45 43.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.642 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -60.76 -43.23 98.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.089 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.57 -32.33 67.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.324 179.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.428 ' O ' HD12 ' B' ' 344' ' ' LEU . 0.6 OUTLIER -67.84 -61.31 1.93 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.192 179.339 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.47 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 2.0 m-85 -62.92 -24.81 68.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.723 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.13 -39.1 60.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.23 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -75.93 -33.09 59.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.423 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.692 ' CG ' HD21 ' C' ' 344' ' ' LEU . 1.5 mp -74.22 -31.42 62.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.478 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.474 ' ND2' HD21 ' A' ' 330' ' ' LEU . 12.5 m-20 -71.41 -41.47 69.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.747 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.6 -32.79 66.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.66 -31.95 57.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.576 HD23 ' O ' ' B' ' 344' ' ' LEU . 2.9 mm? -74.77 -30.39 61.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.783 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -71.51 -31.07 66.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -67.22 -37.73 84.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -60.71 -31.94 71.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.54 -36.55 78.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.61 66.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.786 0.327 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -111.88 104.68 12.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.432 ' CG2' HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -65.1 144.24 57.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.964 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.913 HD23 HD11 ' C' ' 332' ' ' ILE . 18.6 tp -144.33 97.52 3.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -77.75 87.87 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.913 HD11 HD23 ' C' ' 330' ' ' LEU . 21.7 mt -92.32 135.74 26.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -101.6 31.35 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.546 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -131.2 108.16 0.79 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.525 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -32.14 70.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -76.28 -54.07 7.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttm105 -56.64 -40.21 75.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.64 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -62.69 -47.02 85.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.365 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.6 -34.37 61.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.682 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.8 mtm -66.46 -58.68 4.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.301 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -60.29 -29.1 68.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.727 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -36.1 80.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.21 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -79.89 -32.2 40.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.273 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.692 HD21 ' CG ' ' B' ' 344' ' ' LEU . 1.5 mt -76.28 -28.73 57.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.507 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -76.39 -41.79 46.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.714 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -74.25 -31.97 62.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.709 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.92 -30.69 50.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.965 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.69 HD13 ' HG3' ' D' ' 337' ' ' ARG . 11.7 mt -76.33 -30.79 57.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.781 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -72.42 -31.04 65.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.8 mt -67.72 -34.27 76.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -61.96 -35.55 78.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -32.01 71.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.85 -43.05 63.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.864 0.364 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -141.87 104.78 4.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.432 HG22 ' CG2' ' C' ' 329' ' ' THR . 0.2 OUTLIER -66.15 127.81 33.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 37.7 tp -125.96 118.57 25.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -93.0 87.02 5.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.569 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.9 mp -80.66 116.45 24.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.7 79.41 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 167.29 131.26 1.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -32.88 61.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -75.86 -50.03 16.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.69 ' HG3' HD13 ' C' ' 348' ' ' LEU . 4.6 ttm180 -56.87 -45.23 82.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.668 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.591 ' CE1' HD13 ' C' ' 330' ' ' LEU . 9.9 t80 -60.81 -45.91 92.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.337 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.91 -34.41 63.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.632 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.54 -59.34 3.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.284 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.54 -28.54 68.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.706 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -67.99 -33.79 75.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.184 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.51 -32.26 36.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.272 179.352 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.831 ' O ' HD23 ' D' ' 348' ' ' LEU . 0.7 OUTLIER -76.13 -32.3 59.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.438 179.541 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -74.18 -40.38 62.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.713 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -72.79 -32.08 65.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.711 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.53 -31.28 63.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.967 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.831 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.5 mm? -72.83 -40.28 65.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.748 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -66.71 -30.13 70.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.8 mt -72.75 -45.4 58.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.773 ' HD3' HD13 ' D' ' 348' ' ' LEU . 5.7 ptmm? -70.25 -30.73 67.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -75.78 -30.98 59.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.84 -31.11 61.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -179.99 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.798 0.333 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -129.52 107.97 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 6.0 m -77.75 146.2 36.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.546 HD12 ' CE1' ' B' ' 338' ' ' PHE . 1.2 tt -148.29 97.43 2.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -75.89 106.14 7.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.494 HG22 ' H ' ' A' ' 334' ' ' GLY . 3.4 mp -99.91 138.39 24.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.145 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -99.46 31.04 3.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.494 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -147.63 127.11 2.54 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 10.2 ttt85 -70.39 -36.02 73.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -67.11 -47.31 71.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.692 ' HG3' HD13 ' B' ' 348' ' ' LEU . 0.1 OUTLIER -56.93 -47.66 80.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.692 179.905 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.436 ' CE2' ' HD3' ' A' ' 342' ' ' ARG . 8.5 t80 -60.01 -45.46 92.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.358 179.683 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -55.35 -34.36 64.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.615 179.723 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.3 ttp -66.92 -59.2 3.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.257 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.428 ' CD2' ' CD2' ' B' ' 341' ' ' PHE . 3.7 m-85 -60.47 -27.45 67.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.705 179.557 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.436 ' HD3' ' CE2' ' A' ' 338' ' ' PHE . 9.8 tpt85 -68.02 -37.49 81.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.964 0.411 . . . . 0.0 110.113 179.374 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -76.94 -32.69 57.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.342 179.462 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.74 HD21 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -73.78 -31.91 63.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.469 179.551 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -71.37 -43.07 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.682 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -69.68 -37.47 76.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.766 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.38 -30.08 65.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 179.812 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 344' ' ' LEU . 6.4 mt -71.79 -37.09 70.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.809 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -31.82 71.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 mt -66.85 -35.49 80.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -60.86 -37.71 83.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.76 -31.64 71.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.03 -32.99 65.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.973 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.85 0.357 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -150.33 124.44 9.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 10.6 m -90.43 108.96 20.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 33.1 tp -103.95 111.11 23.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -96.79 105.0 17.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.506 HG22 ' H ' ' B' ' 334' ' ' GLY . 3.7 mt -103.96 139.59 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -98.2 30.1 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.506 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -128.71 129.63 6.25 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.366 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 10.7 ttm-85 -77.8 -51.1 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.742 0.306 . . . . 0.0 111.143 -179.783 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -60.16 -50.76 72.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.078 -179.806 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -60.26 -46.19 90.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.552 179.803 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.546 ' CE1' HD12 ' A' ' 330' ' ' LEU . 3.8 t80 -60.61 -39.57 88.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.293 179.539 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.34 -40.1 77.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.756 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.7 mtm -63.44 -55.96 20.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.39 179.583 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.428 ' CD2' ' CD2' ' A' ' 341' ' ' PHE . 4.0 m-85 -59.59 -31.13 69.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.786 179.771 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -37.97 88.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.944 0.402 . . . . 0.0 110.26 179.496 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -79.19 -30.68 43.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.202 179.267 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.655 ' O ' HD12 ' B' ' 348' ' ' LEU . 0.2 OUTLIER -76.42 -31.57 57.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.474 179.582 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -74.82 -41.34 60.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.656 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.659 ' OE1' HD23 ' B' ' 350' ' ' LEU . 3.1 tm-20 -72.5 -32.69 66.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.767 179.82 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.853 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -75.32 -31.84 60.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.953 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.692 HD13 ' HG3' ' A' ' 337' ' ' ARG . 0.8 OUTLIER -72.84 -34.85 67.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.661 179.82 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -66.67 -31.34 71.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.808 179.877 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.659 HD23 ' OE1' ' B' ' 346' ' ' GLU . 1.8 mm? -72.85 -42.6 63.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.787 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -68.58 -31.3 70.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -70.88 -31.01 67.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.28 -43.67 66.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.983 179.985 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.788 0.328 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -128.15 110.55 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.636 ' CG2' HG22 ' D' ' 329' ' ' THR . 4.5 m -98.36 134.08 41.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.697 HD23 HD11 ' C' ' 332' ' ' ILE . 16.0 tp -123.81 110.07 14.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.412 ' HG3' HG23 ' D' ' 329' ' ' THR . 5.7 mp0 -88.93 85.88 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.697 HD11 HD23 ' C' ' 330' ' ' LEU . 4.2 mt -83.03 138.07 19.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.065 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 9.0 ptt180 -100.11 36.7 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -135.16 116.35 1.54 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.442 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.95 -35.11 74.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -78.84 -47.24 17.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.678 ' HD3' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -57.67 -49.58 76.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.719 179.736 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -61.88 -44.24 97.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.103 179.469 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -56.65 -32.17 65.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.389 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -61.71 1.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.993 179.31 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.49 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 6.7 m-85 -58.35 -28.51 65.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.75 179.428 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -65.88 -39.58 90.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.93 0.395 . . . . 0.0 110.121 179.288 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -75.6 -33.42 60.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.22 179.353 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.608 HD11 HD11 ' B' ' 344' ' ' LEU . 0.3 OUTLIER -72.04 -30.47 65.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.401 179.477 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -70.8 -46.8 62.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.595 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.407 ' O ' HD12 ' C' ' 350' ' ' LEU . 0.0 OUTLIER -70.77 -24.88 62.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.898 179.818 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.853 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -78.25 -30.94 48.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.97 179.877 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -75.87 -40.66 54.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.701 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.03 -28.46 64.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.745 179.755 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.407 HD12 ' O ' ' C' ' 346' ' ' GLU . 5.7 mt -71.21 -31.61 67.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.757 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.448 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 6.3 mttp -64.37 -35.76 81.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.81 -31.18 69.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.88 -34.72 73.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.985 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.788 0.328 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -133.96 130.67 38.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.636 HG22 ' CG2' ' C' ' 329' ' ' THR . 0.2 OUTLIER -102.95 111.79 24.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 39.7 tp -105.81 89.36 3.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -72.66 115.83 12.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.456 HG22 ' H ' ' D' ' 334' ' ' GLY . 22.9 mt -124.38 139.14 51.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ptp85 -98.52 30.94 3.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.456 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -128.3 119.64 3.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.413 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -65.38 -47.58 75.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.55 -45.43 90.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.487 ' HG3' ' CE2' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -58.3 -50.1 74.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.695 179.891 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -62.14 -43.79 98.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.143 179.425 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -56.85 -32.59 65.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.389 179.476 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.539 ' O ' HD12 ' D' ' 344' ' ' LEU . 9.4 ttm -67.19 -61.42 1.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.15 179.294 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.487 ' CE2' ' HG3' ' D' ' 337' ' ' ARG . 4.7 m-85 -60.35 -26.8 66.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.772 179.532 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -69.57 -33.29 72.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.241 179.415 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -79.88 -32.57 40.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.412 179.461 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.74 HD21 HD21 ' A' ' 344' ' ' LEU . 3.6 mp -76.66 -30.23 56.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.696 179.67 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -77.12 -37.74 53.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.765 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -74.46 -29.05 61.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.417 ' HA ' ' CD2' ' D' ' 350' ' ' LEU . . . -82.15 -28.86 31.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.042 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.678 HD13 ' HD3' ' C' ' 337' ' ' ARG . 9.8 mt -81.32 -25.44 36.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.909 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -81.62 -30.82 32.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.071 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.697 HD12 ' N ' ' D' ' 351' ' ' LYS . 4.3 pp -79.3 -25.41 42.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.895 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.697 ' N ' HD12 ' D' ' 350' ' ' LEU . 17.9 ttmt -78.25 -30.17 48.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.837 179.879 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.67 -30.95 46.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.72 -32.5 46.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.98 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.844 0.354 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 328' ' ' PHE . 4.7 m-85 -125.21 105.11 8.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.54 152.86 24.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.857 HD23 HD11 ' A' ' 332' ' ' ILE . 17.3 tp -155.88 117.65 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -103.05 83.8 2.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.857 HD11 HD23 ' A' ' 330' ' ' LEU . 3.8 mp -84.56 138.03 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 8.2 ptt85 -95.97 61.08 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -159.49 107.4 0.32 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.422 ' CD ' ' CZ ' ' B' ' 328' ' ' PHE . 15.7 tpt85 -60.39 -49.78 76.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.88 -46.68 83.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.505 ' CG ' HD13 ' B' ' 348' ' ' LEU . 5.1 ttm180 -57.11 -43.91 82.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.799 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.47 ' CE2' HD22 ' B' ' 330' ' ' LEU . 11.7 t80 -60.32 -47.26 86.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.413 179.752 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -54.2 -35.24 62.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.633 179.755 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -65.44 -58.85 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.224 179.478 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.441 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 4.9 m-85 -59.72 -30.52 68.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.946 179.756 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -68.69 -36.89 79.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.93 0.395 . . . . 0.0 110.242 179.488 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.93 -29.36 39.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.217 179.306 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.58 HD21 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -76.82 -31.09 56.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.646 179.582 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -76.28 -41.1 49.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.764 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -75.88 -29.95 58.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.732 179.802 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.58 -30.72 36.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.011 179.78 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.739 HD12 ' HD2' ' B' ' 337' ' ' ARG . 16.3 mt -79.39 -27.3 41.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 179.801 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -77.46 -28.4 52.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.77 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 5.8 mt -73.76 -38.88 64.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -66.38 -30.51 70.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.53 -31.79 73.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.887 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.47 -31.04 60.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.798 0.333 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.422 ' CZ ' ' CD ' ' A' ' 335' ' ' ARG . 15.5 m-85 -132.11 136.96 47.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.95 148.24 31.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.471 ' CD2' HD11 ' B' ' 332' ' ' ILE . 32.1 tp -155.42 113.17 3.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -89.32 98.16 11.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.471 HD11 ' CD2' ' B' ' 330' ' ' LEU . 25.7 mm -84.86 118.02 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -91.07 62.12 4.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -174.5 126.82 1.23 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.86 -40.87 83.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -76.17 -45.65 32.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.739 ' HD2' HD12 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -58.56 -51.17 71.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 179.801 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.665 ' CE2' HD13 ' A' ' 330' ' ' LEU . 6.3 t80 -62.73 -42.97 99.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.079 179.346 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -57.66 -32.61 67.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.414 179.485 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.15 -60.62 2.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.173 179.342 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.492 ' HA ' HD12 ' B' ' 344' ' ' LEU . 5.3 m-85 -59.12 -27.08 65.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.798 179.556 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 26.9 ttt-85 -67.37 -39.24 85.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.198 179.371 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -77.66 -30.98 52.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.241 179.314 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.674 ' O ' HD12 ' B' ' 348' ' ' LEU . 9.8 mt -74.5 -30.27 61.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.515 179.554 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -73.86 -44.48 55.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.721 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -72.85 -30.54 64.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.708 179.779 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.43 -30.47 47.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.008 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.736 HD23 ' HD3' ' B' ' 351' ' ' LYS . 1.4 mt -77.1 -29.66 54.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.917 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.65 -29.43 61.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.831 179.855 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 11.8 mt -72.42 -41.38 66.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.736 ' HD3' HD23 ' B' ' 348' ' ' LEU . 6.8 ptmm? -64.54 -30.47 71.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.739 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.51 -33.05 74.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 179.887 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.57 -30.64 69.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.045 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.958 179.946 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.834 0.349 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.434 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 25.3 m-85 -98.27 100.36 11.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.851 HG23 ' HG3' ' D' ' 331' ' ' GLN . 0.2 OUTLIER -70.81 139.55 50.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.969 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.831 HD23 HD11 ' C' ' 332' ' ' ILE . 13.5 tp -136.24 94.41 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -71.32 84.14 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.831 HD11 HD23 ' C' ' 330' ' ' LEU . 4.7 mt -89.08 134.29 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -96.85 40.89 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.16 116.48 1.47 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.458 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -65.17 -37.32 87.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.51 -47.24 34.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.747 ' CG ' HD13 ' D' ' 348' ' ' LEU . 6.6 mtm180 -56.57 -47.65 79.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.723 179.868 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -59.47 -46.21 89.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.414 179.61 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -54.8 -34.34 62.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.625 179.671 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.599 ' CE ' HD11 ' D' ' 348' ' ' LEU . 4.7 mtm -66.41 -59.22 3.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.268 179.442 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.423 ' HA ' HD12 ' C' ' 344' ' ' LEU . 5.3 m-85 -59.73 -28.82 67.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.757 179.638 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 11.6 ttp85 -66.81 -35.46 80.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.952 0.406 . . . . 0.0 110.212 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -80.58 -31.56 36.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.287 179.351 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.644 ' O ' HD12 ' C' ' 348' ' ' LEU . 13.7 mt -76.93 -29.07 55.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.572 179.509 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -76.92 -41.18 44.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.687 179.827 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.574 ' O ' HD12 ' C' ' 350' ' ' LEU . 1.6 tt0 -74.73 -30.42 61.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.757 179.839 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.496 ' HB2' ' HD2' ' B' ' 351' ' ' LYS . . . -79.08 -30.43 43.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.044 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.644 HD12 ' O ' ' C' ' 344' ' ' LEU . 2.6 mt -79.14 -28.75 42.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -80.94 -30.49 35.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.757 179.799 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.574 HD12 ' O ' ' C' ' 346' ' ' GLU . 2.4 mt -79.43 -33.42 42.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 179.818 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -28.81 55.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 179.845 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.11 -30.95 58.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.93 65.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.037 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.979 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.807 0.337 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -128.04 111.26 13.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 4.3 m -85.99 108.13 18.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.585 HD22 HG13 ' D' ' 332' ' ' ILE . 1.4 tt -108.86 110.54 21.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.851 ' HG3' HG23 ' C' ' 329' ' ' THR . 4.4 mt-30 -83.51 84.52 7.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.585 HG13 HD22 ' D' ' 330' ' ' LEU . 3.6 mp -70.26 127.48 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -99.81 75.17 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.23 139.84 4.1 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 10.0 tpt85 -75.38 -56.48 4.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.762 0.315 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -68.4 -42.97 78.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.505 ' CG ' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -57.84 -49.31 77.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.71 179.861 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.434 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 10.2 t80 -59.58 -46.27 89.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.337 179.603 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.43 -34.14 64.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.638 179.665 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.1 ttm -66.29 -58.38 5.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.296 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.417 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 3.3 m-85 -60.56 -29.94 69.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.797 179.692 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -68.34 -38.25 81.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.194 179.446 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -77.49 -32.23 54.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.31 179.334 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.682 ' O ' HD12 ' D' ' 348' ' ' LEU . 79.6 mt -74.27 -30.63 62.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.496 179.558 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.551 ' OD1' HG23 ' C' ' 332' ' ' ILE . 1.4 t30 -72.7 -43.88 62.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.679 179.679 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -71.2 -36.25 71.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.775 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.05 -26.58 59.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.772 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.747 HD13 ' CG ' ' C' ' 337' ' ' ARG . 1.5 mt -75.39 -34.97 61.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.56 -26.63 65.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.974 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 8.0 mt -71.79 -46.02 59.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.989 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -62.94 -29.71 71.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.11 -31.7 72.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.55 -31.13 70.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.973 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.426 ' CE2' ' HG3' ' B' ' 333' ' ' ARG . 5.8 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.795 0.331 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -123.65 97.93 5.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.41 HG23 ' HG3' ' B' ' 331' ' ' GLN . 0.2 OUTLIER -65.42 128.05 34.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.438 ' O ' HD12 ' A' ' 332' ' ' ILE . 9.2 tp -131.94 114.2 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.469 ' HG3' HG23 ' B' ' 329' ' ' THR . 2.8 mp0 -81.45 134.09 35.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.438 HD12 ' O ' ' A' ' 330' ' ' LEU . 3.5 mp -136.77 135.27 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.48 33.31 2.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.432 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -136.51 120.63 2.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -70.6 -40.03 73.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.12 -57.75 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.472 ' HB3' HD13 ' B' ' 348' ' ' LEU . 12.8 ptp180 -55.32 -46.64 76.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.72 179.847 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.523 ' CE2' HD12 ' B' ' 330' ' ' LEU . 3.9 t80 -60.75 -39.78 89.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.326 179.612 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.9 -39.24 77.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.63 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.8 ttm -63.8 -55.58 21.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.432 179.646 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.47 -32.57 71.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.726 179.716 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.412 ' HD3' ' CZ ' ' A' ' 338' ' ' PHE . 28.8 tpt85 -65.18 -34.9 79.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.955 0.407 . . . . 0.0 110.242 179.483 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -79.86 -31.56 40.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.271 179.378 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.636 ' CG ' HD21 ' D' ' 344' ' ' LEU . 0.9 OUTLIER -75.32 -30.42 60.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.524 179.618 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -75.21 -43.13 53.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.61 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.68 -31.7 67.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.677 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.856 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -73.82 -31.39 63.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.96 179.762 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.415 HD13 ' HB3' ' B' ' 337' ' ' ARG . 32.4 mt -72.13 -39.5 68.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.771 179.865 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -69.12 -31.22 69.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.03 -38.73 72.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -66.0 -37.0 84.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -68.12 -34.34 76.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.15 -31.19 62.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.981 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.826 0.346 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -147.63 104.9 3.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.469 HG23 ' HG3' ' A' ' 331' ' ' GLN . 0.8 OUTLIER -76.75 112.77 13.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.523 HD12 ' CE2' ' A' ' 338' ' ' PHE . 2.1 tt -106.72 104.74 14.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.41 ' HG3' HG23 ' A' ' 329' ' ' THR . 11.9 mt-30 -76.62 102.62 6.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.516 HD12 ' O ' ' B' ' 330' ' ' LEU . 3.4 mp -97.12 118.51 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.426 ' HG3' ' CE2' ' A' ' 327' ' ' TYR . 4.3 mtp180 -92.15 75.27 5.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 179.898 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 170.13 134.87 1.81 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.514 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 22.3 ttp85 -75.59 -32.11 60.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -73.61 -58.87 3.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.415 ' HB3' HD13 ' A' ' 348' ' ' LEU . 3.7 ptp180 -55.79 -41.12 73.64 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.435 ' CE2' HD13 ' A' ' 330' ' ' LEU . 3.8 t80 -63.22 -39.51 94.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.305 179.687 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -57.9 -40.39 80.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.656 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -63.16 -54.91 30.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.481 179.676 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -61.79 -32.56 72.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.752 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -38.54 83.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.293 179.495 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -77.51 -31.8 53.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.305 179.448 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.754 HD21 HD23 ' C' ' 344' ' ' LEU . 88.0 mt -75.01 -29.55 60.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.649 179.574 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -74.75 -42.42 58.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.754 179.802 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -71.04 -32.58 69.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.751 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.61 -31.91 63.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.967 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.472 HD13 ' HB3' ' A' ' 337' ' ' ARG . 13.6 mt -72.05 -37.68 69.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 179.869 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -66.67 -30.46 70.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 33.2 mt -66.95 -41.21 87.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -60.26 -31.53 70.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.2 -33.79 72.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.32 -33.91 75.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.989 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -107.01 97.57 7.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 2.0 m -67.82 104.95 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 40.6 tp -111.23 116.23 30.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -97.84 115.88 28.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -117.0 145.84 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.423 ' HD3' ' CE1' ' D' ' 327' ' ' TYR . 13.3 ttp85 -97.35 69.3 2.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -172.96 120.61 0.82 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.465 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -69.25 -32.3 71.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -77.65 -50.88 11.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.49 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -56.54 -47.53 79.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.757 179.826 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.843 ' CE2' HD13 ' D' ' 330' ' ' LEU . 8.1 t80 -62.46 -44.58 96.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.159 179.427 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -56.05 -32.34 63.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.458 179.498 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.478 ' O ' HD12 ' C' ' 344' ' ' LEU . 2.2 ttp -67.2 -61.81 1.73 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.074 179.27 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.49 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 6.0 m-85 -59.64 -27.56 66.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.532 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -33.85 74.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.915 0.388 . . . . 0.0 110.135 179.373 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -78.68 -32.74 47.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.297 179.437 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.754 HD23 HD21 ' B' ' 344' ' ' LEU . 4.3 mp -73.77 -33.87 64.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.429 179.588 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -71.0 -42.69 69.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.534 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -66.88 -37.42 84.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.647 179.753 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.86 -35.28 80.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' C' ' 348' ' ' LEU . 0.7 OUTLIER -65.58 -45.07 84.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.678 179.859 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -59.99 -31.63 70.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.8 mp -67.87 -45.45 74.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -60.39 -31.68 70.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.75 -31.56 66.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.67 -31.45 68.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.971 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.423 ' CE1' ' HD3' ' C' ' 333' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.847 0.356 . . . . 0.0 110.848 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -136.45 128.44 29.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.36 141.45 28.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.843 HD13 ' CE2' ' C' ' 338' ' ' PHE . 11.0 tp -140.57 107.41 5.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -91.61 101.21 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.514 HD11 HD23 ' D' ' 330' ' ' LEU . 3.5 mp -98.61 120.27 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -82.94 76.25 9.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.89 133.97 1.86 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -74.37 -33.97 63.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.64 -45.21 22.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.969 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.459 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 2.2 tpp180 -58.23 -50.2 74.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.715 179.825 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -62.13 -44.32 96.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.106 179.423 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -56.87 -32.54 65.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.448 179.479 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.3 ttp -66.82 -60.23 2.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.237 179.399 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.459 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.4 m-85 -59.34 -28.57 66.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.777 179.524 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -66.47 -36.59 83.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.095 179.301 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.03 -32.72 57.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.311 179.429 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.817 ' O ' HD23 ' D' ' 348' ' ' LEU . 1.0 OUTLIER -72.55 -30.56 64.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.54 179.562 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -72.83 -45.65 57.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.729 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -69.6 -31.84 70.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.798 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.856 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -74.66 -32.41 62.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.036 179.87 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.817 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.3 mm? -72.19 -34.44 68.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.95 -31.69 68.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -71.18 -34.22 70.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -66.39 -35.82 81.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.85 -31.55 72.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.24 -40.22 62.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.99 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.836 0.351 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.438 ' CZ ' ' HD3' ' B' ' 335' ' ' ARG . 40.1 m-85 -152.8 100.78 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 6.8 m -72.0 137.97 47.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.444 ' CD2' HD11 ' A' ' 332' ' ' ILE . 43.5 tp -137.53 109.45 7.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -89.87 98.63 11.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.559 HG22 ' H ' ' A' ' 334' ' ' GLY . 26.3 mm -81.71 128.38 38.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.71 30.93 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.559 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -138.94 123.95 2.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.59 -43.3 99.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.341 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -75.23 -51.83 12.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -56.09 -41.98 76.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.704 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.429 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 12.2 t80 -62.04 -47.79 83.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.375 179.613 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -54.61 -33.95 61.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.691 179.73 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.498 ' O ' HD12 ' A' ' 344' ' ' LEU . 2.8 mtp -66.29 -58.04 6.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.336 179.537 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.414 ' HB3' ' CG ' ' B' ' 341' ' ' PHE . 3.1 m-85 -60.95 -30.62 70.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.807 179.713 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.48 -37.74 80.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.421 . . . . 0.0 110.22 179.468 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -78.77 -30.9 45.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.201 179.317 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.696 ' CG ' HD21 ' D' ' 344' ' ' LEU . 1.0 OUTLIER -75.1 -31.55 61.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.546 179.525 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.444 ' OD1' HD13 ' B' ' 332' ' ' ILE . 4.4 t30 -73.59 -43.05 60.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.719 179.817 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.455 ' O ' HD23 ' A' ' 350' ' ' LEU . 5.6 tt0 -73.16 -31.62 64.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.687 179.794 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.556 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -77.26 -31.54 55.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.856 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.665 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.6 OUTLIER -74.94 -31.42 61.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.754 179.848 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -70.43 -30.72 67.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.81 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 346' ' ' GLU . 2.3 mm? -65.81 -36.98 85.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -59.7 -38.57 81.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.91 -38.48 85.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.17 -31.47 62.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.99 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.848 0.356 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.429 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 23.4 m-85 -142.67 103.23 4.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.3 m -63.06 148.97 46.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.463 HD23 HD11 ' B' ' 332' ' ' ILE . 11.1 tp -148.23 94.35 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -82.36 127.25 33.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.466 HD13 ' HE1' ' B' ' 341' ' ' PHE . 22.6 mt -134.88 152.48 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -105.19 36.42 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.77 125.12 4.02 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.438 ' HD3' ' CZ ' ' A' ' 328' ' ' PHE . 14.3 tpt180 -73.08 -39.35 65.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -74.17 -42.32 60.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.571 ' HG3' HD13 ' A' ' 348' ' ' LEU . 6.3 ttm180 -57.88 -49.53 76.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.711 179.882 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.444 ' CE2' HD13 ' A' ' 330' ' ' LEU . 10.2 t80 -59.65 -46.42 89.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.36 179.644 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -55.87 -33.03 64.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.59 179.699 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.4 ttp -67.0 -58.67 4.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.337 179.457 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.466 ' HE1' HD13 ' B' ' 332' ' ' ILE . 3.4 m-85 -61.06 -29.65 69.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.689 179.677 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -68.17 -37.23 80.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.214 179.355 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.4 -33.9 54.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.143 179.318 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.81 ' O ' HD23 ' B' ' 348' ' ' LEU . 0.5 OUTLIER -71.12 -29.73 65.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.359 179.416 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -72.34 -49.39 34.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.619 179.695 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.33 -28.9 69.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.826 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.672 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -72.86 -36.07 67.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.064 179.926 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.81 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.7 mm? -69.28 -37.34 77.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.821 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.29 -30.94 66.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 16.2 mt -72.48 -37.9 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.57 ' HE3' ' HB2' ' C' ' 347' ' ' ALA . 19.8 mttm -67.07 -31.5 72.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.85 -31.67 61.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.16 -32.48 64.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.958 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.826 0.346 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.403 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 6.6 m-85 -127.76 103.91 7.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.534 HG22 ' CG2' ' D' ' 329' ' ' THR . 0.2 OUTLIER -63.12 103.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.955 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.654 HD13 ' CE2' ' D' ' 338' ' ' PHE . 7.0 tp -100.04 117.14 33.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -91.05 114.22 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.593 HG23 ' OD1' ' D' ' 345' ' ' ASN . 3.9 mp -109.37 141.29 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.094 -179.906 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -106.06 73.12 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.18 130.2 1.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -30.57 63.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -74.14 -55.24 6.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -55.62 -40.14 71.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.712 179.867 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -63.31 -47.51 81.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.335 179.553 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -54.63 -33.83 61.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.666 179.708 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.6 mmm -66.4 -58.43 5.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.323 179.519 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.408 ' CD2' ' CD1' ' D' ' 341' ' ' PHE . 4.1 m-85 -59.96 -29.59 68.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.819 179.677 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -36.44 81.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.179 179.365 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -79.01 -32.01 44.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.273 179.345 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.826 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.8 OUTLIER -75.0 -30.27 61.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.528 179.538 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -74.66 -42.78 57.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.697 179.801 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.454 ' O ' HD23 ' C' ' 350' ' ' LEU . 3.9 mt-10 -70.93 -32.55 69.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.748 179.763 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.672 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -73.43 -32.97 64.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.826 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.3 mm? -70.88 -37.62 73.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.675 179.883 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.73 -31.24 72.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.454 HD23 ' O ' ' C' ' 346' ' ' GLU . 2.8 mm? -67.01 -46.3 74.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.822 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 11.2 mttt -60.07 -36.01 76.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.87 -32.13 72.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.36 -31.12 62.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.06 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.984 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.793 0.33 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -84.61 99.5 10.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.534 ' CG2' HG22 ' C' ' 329' ' ' THR . 14.7 m -73.99 135.61 43.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.522 HD23 HD11 ' D' ' 332' ' ' ILE . 19.4 tp -134.31 103.33 5.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -70.38 111.14 5.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.548 HG22 ' H ' ' D' ' 334' ' ' GLY . 28.4 mm -96.52 130.04 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.53 30.83 3.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.548 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -147.33 119.32 1.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -32.18 70.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 0.0 110.934 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -75.43 -52.78 9.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttm105 -56.9 -38.86 73.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.649 179.824 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.654 ' CE2' HD13 ' C' ' 330' ' ' LEU . 12.1 t80 -63.29 -48.0 79.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.381 179.627 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.45 -33.44 59.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.656 179.682 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.0 ttm -66.84 -58.96 4.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.313 179.473 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.408 ' CD1' ' CD2' ' C' ' 341' ' ' PHE . 3.5 m-85 -61.1 -29.62 69.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.73 179.596 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 28.2 ttp85 -68.66 -35.57 77.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.968 0.413 . . . . 0.0 110.174 179.398 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -80.05 -31.28 39.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.191 179.306 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.8 ' O ' HD23 ' D' ' 348' ' ' LEU . 0.5 OUTLIER -75.13 -31.3 61.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.488 179.484 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.593 ' OD1' HG23 ' C' ' 332' ' ' ILE . 44.5 t30 -74.73 -43.47 54.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.613 179.794 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -71.05 -30.8 67.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.812 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.556 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -76.22 -34.53 59.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 179.892 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.8 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.6 mm? -72.25 -30.75 65.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 179.774 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -73.49 -44.05 58.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.824 HD12 ' N ' ' D' ' 351' ' ' LYS . 4.3 pp -69.58 -31.47 69.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.918 0.389 . . . . 0.0 110.503 179.809 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.824 ' N ' HD12 ' D' ' 350' ' ' LEU . 3.8 mtpt -72.43 -42.3 65.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.436 179.613 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.03 -31.41 72.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.842 179.886 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.73 87.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.945 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.432 ' CZ ' ' HG2' ' B' ' 333' ' ' ARG . 52.2 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.864 0.364 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.426 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 8.2 m-85 -127.61 112.36 14.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.94 132.44 53.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.846 HD13 ' CE1' ' B' ' 338' ' ' PHE . 15.7 tp -135.52 116.55 14.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -103.76 119.11 38.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 27.5 mm -111.37 152.25 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -110.69 37.68 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -144.23 129.53 3.64 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 -64.55 -66.54 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -59.68 -37.62 79.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.831 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.679 ' NE ' HD11 ' B' ' 348' ' ' LEU . 1.5 tpt180 -59.5 -51.5 69.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.647 179.82 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.783 ' CZ ' HD13 ' B' ' 330' ' ' LEU . 10.1 t80 -60.76 -46.85 88.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.111 179.499 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -55.66 -32.2 63.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.402 179.478 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.9 ttp -66.74 -60.9 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.1 179.35 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.573 ' HE1' HD22 ' B' ' 344' ' ' LEU . 4.0 m-85 -60.15 -29.17 68.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 179.575 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.13 -41.87 69.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.077 179.283 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -75.61 -30.64 59.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.18 179.198 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.917 HD21 HD22 ' D' ' 344' ' ' LEU . 3.6 tp -72.73 -30.88 64.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.465 179.552 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -72.43 -46.9 52.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.642 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.45 -24.77 61.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.848 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.419 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . . . -83.55 -27.52 29.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 179.859 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.886 HD13 ' HD3' ' A' ' 351' ' ' LYS . 3.6 mm? -81.38 -27.7 34.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.004 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -81.09 -29.28 34.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.188 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.783 HD12 ' N ' ' A' ' 351' ' ' LYS . 4.1 pp -80.9 -28.51 35.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.886 ' HD3' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -78.33 -29.2 47.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.821 0.344 . . . . 0.0 110.641 179.725 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.61 -31.02 67.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.663 179.774 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.34 -30.88 71.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.984 179.795 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.941 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.798 0.332 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -137.39 122.8 19.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.1 153.04 26.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.783 HD13 ' CZ ' ' A' ' 338' ' ' PHE . 7.5 tp -155.12 112.12 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -87.07 84.46 7.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.453 HD11 HD23 ' B' ' 330' ' ' LEU . 29.2 mm -75.47 109.76 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.432 ' HG2' ' CZ ' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -65.28 -30.62 71.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.959 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -75.14 133.89 15.86 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.563 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -74.14 -57.15 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.1 -38.45 83.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.459 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 1.2 tpp180 -59.74 -51.74 68.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.755 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.846 ' CE1' HD13 ' A' ' 330' ' ' LEU . 8.0 t80 -59.55 -44.28 93.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.273 179.562 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.44 -34.99 64.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.533 179.529 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.93 -60.07 3.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.22 179.413 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.459 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 4.2 m-85 -60.67 -28.43 68.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.609 179.59 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -32.84 74.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.102 179.289 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -77.99 -32.7 51.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.317 179.381 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.632 HD21 HD21 ' C' ' 344' ' ' LEU . 3.2 mp -73.04 -37.45 66.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.437 179.58 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -69.06 -40.66 78.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.608 179.804 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.732 ' O ' HD23 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -66.8 -34.96 78.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.656 179.749 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.582 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -65.39 -40.37 93.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.84 179.791 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.679 HD11 ' NE ' ' A' ' 337' ' ' ARG . 8.6 mt -63.12 -44.37 95.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.82 179.836 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -62.15 -31.43 71.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.732 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.7 mm? -74.41 -32.87 62.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.85 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -30.91 67.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -69.87 -31.89 69.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.07 -38.49 79.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.968 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.866 0.365 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.409 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 5.4 m-85 -126.12 113.41 17.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.55 104.39 11.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.664 HD13 ' CE1' ' D' ' 338' ' ' PHE . 23.1 tp -95.01 114.38 26.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -88.61 97.17 10.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.541 HD11 HD23 ' C' ' 330' ' ' LEU . 3.3 mp -96.14 126.3 48.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -98.75 33.82 2.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.488 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -136.67 115.62 1.3 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.0 ptt-85 -61.22 -35.98 78.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -74.32 -54.46 7.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.552 ' CG ' HD13 ' D' ' 348' ' ' LEU . 2.5 mtm105 -55.43 -42.34 74.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.668 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -61.0 -45.7 93.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.391 179.659 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -54.08 -36.66 63.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.64 179.712 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -65.39 -59.35 4.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.259 179.39 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.481 ' CD1' ' CD2' ' D' ' 341' ' ' PHE . 4.5 m-85 -58.96 -27.28 65.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.708 179.588 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -39.01 88.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.99 0.424 . . . . 0.0 110.138 179.373 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.69 -32.55 57.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.27 179.394 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.632 HD21 HD21 ' B' ' 344' ' ' LEU . 1.3 mt -73.39 -29.78 62.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.506 179.508 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.434 ' ND2' HD21 ' D' ' 330' ' ' LEU . 23.5 m-20 -72.96 -45.12 59.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.707 179.806 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.442 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.6 mm-40 -71.32 -33.91 70.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.742 179.855 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.582 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -76.5 -29.65 56.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.998 179.817 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.763 HD13 ' HD3' ' D' ' 337' ' ' ARG . 9.9 mt -76.24 -29.44 57.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -77.38 -32.06 54.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.823 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.442 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.7 mm? -77.16 -37.97 52.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.808 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.04 -28.77 57.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.864 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -78.82 -30.55 45.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 179.88 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.32 -30.81 57.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.062 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 179.958 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.788 0.328 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -111.43 99.26 8.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 30.4 m -68.41 128.89 38.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.434 HD21 ' ND2' ' C' ' 345' ' ' ASN . 53.0 tp -127.39 110.76 13.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -85.58 123.79 31.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.653 HG21 ' HG2' ' D' ' 337' ' ' ARG . 4.6 mt -125.15 137.39 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -97.86 36.41 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.28 120.32 2.18 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -59.95 4.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 110.937 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -59.86 -33.86 72.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.763 ' HD3' HD13 ' C' ' 348' ' ' LEU . 6.5 ttp180 -60.93 -54.0 50.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.647 179.76 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.664 ' CE1' HD13 ' C' ' 330' ' ' LEU . 8.6 t80 -61.02 -45.56 94.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.062 179.399 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -56.78 -31.55 64.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.351 179.421 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.3 ttp -67.1 -60.71 2.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.213 179.342 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.481 ' CD2' ' CD1' ' C' ' 341' ' ' PHE . 3.6 m-85 -60.97 -28.57 69.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.776 179.606 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -70.66 -37.71 73.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.939 0.399 . . . . 0.0 110.25 179.45 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -79.01 -31.28 44.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.289 179.292 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.917 HD22 HD21 ' A' ' 344' ' ' LEU . 66.1 mt -76.04 -29.35 58.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.578 179.564 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -75.67 -42.12 52.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.639 179.772 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -71.76 -32.58 67.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.699 179.828 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.47 -34.11 63.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.7 HD12 ' O ' ' D' ' 344' ' ' LEU . 0.4 OUTLIER -71.14 -34.18 70.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.691 179.825 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -66.01 -30.24 70.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.6 mp -62.74 -40.55 97.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -59.26 -39.97 84.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.52 -32.95 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.04 -31.21 61.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.067 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.995 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.4 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 12.9 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -106.36 100.66 10.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.12 150.99 47.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.8 HD13 ' CE1' ' B' ' 338' ' ' PHE . 14.1 tp -152.79 106.57 3.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -84.55 119.63 25.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 28.0 mm -115.8 121.69 67.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.44 ' HG2' ' CE2' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -64.98 -30.87 71.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 179.937 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -70.84 131.51 21.14 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.526 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.425 ' HG3' ' CZ ' ' B' ' 328' ' ' PHE . 11.4 ttp180 -75.35 -57.63 3.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -61.67 -39.31 90.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.775 ' NE ' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -59.76 -51.91 67.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.754 179.894 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.448 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 7.7 t80 -59.99 -43.86 94.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.288 179.559 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.51 -34.06 66.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.416 179.557 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.8 tpp -66.63 -60.77 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.104 179.342 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.449 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 3.8 m-85 -61.03 -28.54 69.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.792 179.546 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -70.29 -38.09 74.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.958 0.409 . . . . 0.0 110.032 179.361 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.02 -30.36 61.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.099 179.153 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.861 HD21 HD11 ' D' ' 344' ' ' LEU . 0.1 OUTLIER -71.97 -42.49 66.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.476 179.537 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -65.0 -38.75 91.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.737 179.856 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -70.45 -30.89 67.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.48 -31.8 67.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.4 mm? -72.31 -44.38 62.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 179.927 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -68.02 -28.24 67.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.49 -37.55 65.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -69.59 -32.35 71.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.54 -34.22 72.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.35 -31.01 70.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.068 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.997 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.44 ' CE2' ' HG2' ' A' ' 333' ' ' ARG . 13.0 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.448 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 19.5 m-85 -135.86 107.83 7.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 4.2 m -69.82 125.63 27.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 19.2 tp -111.64 110.28 20.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -90.29 88.05 7.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.426 HG21 ' HB3' ' B' ' 337' ' ' ARG . 4.0 mt -85.41 149.52 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 6.0 ttt180 -117.13 42.99 2.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -155.36 137.16 5.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.74 -41.14 68.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -74.74 -40.33 61.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.782 179.878 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.452 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 2.0 tpp180 -59.26 -51.39 70.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.623 179.803 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.8 ' CE1' HD13 ' A' ' 330' ' ' LEU . 8.9 t80 -61.09 -45.64 93.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.169 179.464 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.33 -32.4 64.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.483 179.542 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttm -66.57 -59.84 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.193 179.351 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.452 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 5.5 m-85 -59.48 -30.86 68.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.726 179.614 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -65.97 -39.61 90.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.984 0.421 . . . . 0.0 109.938 179.288 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -74.71 -29.83 61.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.905 178.955 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 1.007 HD12 HD11 ' B' ' 348' ' ' LEU . 0.1 OUTLIER -71.9 -44.07 64.34 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.457 179.459 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -65.36 -38.68 90.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.802 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -73.24 -37.35 66.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.761 179.822 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.58 -30.25 61.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.969 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 1.007 HD11 HD12 ' B' ' 344' ' ' LEU . 21.0 mt -75.6 -30.75 59.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.824 179.876 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -71.81 -29.17 64.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.14 -38.74 78.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -62.7 -39.01 92.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.24 -38.24 88.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.61 -31.9 72.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.05 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.989 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.404 ' CZ ' ' HG3' ' D' ' 333' ' ' ARG . 26.3 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.786 0.327 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -97.98 98.94 10.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.446 HG23 ' HG3' ' D' ' 331' ' ' GLN . 13.7 m -74.25 120.32 19.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.676 HD23 HD11 ' C' ' 332' ' ' ILE . 22.3 tp -107.47 123.97 49.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -98.71 85.81 3.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.676 HD11 HD23 ' C' ' 330' ' ' LEU . 3.7 mp -83.26 126.64 40.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -98.76 30.94 3.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.574 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -126.74 136.68 9.56 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.443 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -74.44 -51.11 15.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -73.96 -47.68 35.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.991 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -56.7 -44.1 81.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.76 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.43 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 12.5 t80 -61.15 -48.09 83.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.38 179.634 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -54.95 -32.96 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.696 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 3.7 ttp -67.01 -57.3 7.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.399 179.576 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.531 ' HE1' HD22 ' D' ' 344' ' ' LEU . 2.2 m-85 -61.63 -30.74 70.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.709 179.649 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -67.81 -36.84 81.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.231 179.442 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -77.06 -31.76 56.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.271 179.349 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.755 HD21 ' CD2' ' B' ' 344' ' ' LEU . 0.1 OUTLIER -74.2 -35.48 63.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.656 179.592 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -71.07 -38.63 72.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.758 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.79 -33.38 72.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.63 -37.39 76.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.046 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.691 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.1 mm? -67.82 -39.84 83.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -64.93 -31.33 72.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.5 mt -71.92 -40.81 68.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -66.66 -31.52 72.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -67.36 -33.44 75.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.12 -31.7 68.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.995 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.834 0.349 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.43 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 26.1 m-85 -139.9 109.97 6.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 2.4 m -86.53 142.54 28.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.928 HD23 HD11 ' D' ' 332' ' ' ILE . 9.9 tp -141.98 105.95 4.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.446 ' HG3' HG23 ' C' ' 329' ' ' THR . 33.1 mt-30 -87.3 110.4 20.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.928 HD11 HD23 ' D' ' 330' ' ' LEU . 4.5 mt -115.0 144.86 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.06 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.404 ' HG3' ' CZ ' ' C' ' 327' ' ' TYR . 4.7 ttp180 -98.46 35.69 1.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -130.02 122.52 3.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.449 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -45.98 69.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -71.71 -40.63 69.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.462 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 1.9 tpp180 -59.35 -51.59 69.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.626 179.849 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.509 ' CE2' HD13 ' C' ' 330' ' ' LEU . 8.3 t80 -61.0 -44.71 97.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.161 179.501 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -56.84 -32.43 65.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.461 179.57 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.5 ttm -67.03 -59.85 3.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.225 179.398 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.462 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.1 m-85 -59.92 -29.27 68.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.74 179.595 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -67.05 -39.56 86.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.013 179.266 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -76.2 -32.75 59.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.171 179.247 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.861 HD11 HD21 ' A' ' 344' ' ' LEU . 0.1 OUTLIER -71.62 -30.39 65.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.394 179.413 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.456 ' OD1' HG23 ' C' ' 332' ' ' ILE . 4.6 t30 -71.43 -48.28 50.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.709 179.737 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.609 ' O ' HD23 ' D' ' 350' ' ' LEU . 40.1 mt-10 -67.9 -31.72 71.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.5 -33.37 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.048 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.406 HD23 HD23 ' D' ' 344' ' ' LEU . 1.6 mm? -72.97 -29.91 63.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 179.921 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -70.81 -31.17 67.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.609 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.9 mm? -68.95 -36.45 77.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -63.12 -32.57 73.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.84 -33.6 68.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.7 -32.2 60.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.999 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.847 0.356 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -124.98 110.79 14.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 1.2 p -75.23 119.93 20.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 1.029 HD23 HD11 ' A' ' 332' ' ' ILE . 8.0 tp -106.36 113.47 27.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -99.72 101.56 12.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 1.029 HD11 HD23 ' A' ' 330' ' ' LEU . 3.8 mp -97.62 145.09 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 59.8 ttt-85 -98.13 35.04 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -147.12 122.02 1.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -65.02 -31.9 73.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -75.05 -50.61 15.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.719 ' CG ' HD13 ' B' ' 348' ' ' LEU . 6.3 mtm180 -56.75 -43.4 80.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 179.842 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.436 ' CE1' HD13 ' B' ' 330' ' ' LEU . 11.2 t80 -61.1 -46.81 89.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.425 179.673 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -54.71 -34.38 62.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.683 179.671 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.2 ttp -66.59 -58.79 4.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.261 179.465 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -60.08 -28.52 67.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.777 179.625 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -67.61 -36.62 81.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.936 0.398 . . . . 0.0 110.196 179.414 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -78.63 -32.74 47.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.351 179.433 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.78 ' O ' HD23 ' A' ' 348' ' ' LEU . 81.0 mt -76.15 -29.2 57.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.591 179.589 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.485 ' OD1' HG23 ' B' ' 332' ' ' ILE . 16.7 t30 -75.6 -40.06 57.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.743 179.812 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -72.9 -34.08 66.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.781 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.586 ' HB2' ' NZ ' ' D' ' 351' ' ' LYS . . . -75.61 -31.65 59.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 179.876 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.78 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.5 mm? -74.48 -31.61 62.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.752 179.882 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -70.2 -31.67 69.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.869 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.56 -33.15 68.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.798 179.906 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -67.1 -37.56 84.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.813 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.78 -41.44 99.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.17 -34.67 75.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.985 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.789 0.328 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -129.39 130.69 46.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.6 m -91.65 137.39 32.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.588 HD23 HD11 ' B' ' 332' ' ' ILE . 15.8 tp -133.04 98.63 4.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -81.21 110.85 17.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.588 HD11 HD23 ' B' ' 330' ' ' LEU . 22.2 mt -118.45 142.77 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -97.57 37.85 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.36 108.46 0.55 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.453 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -60.78 -31.23 70.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.47 -52.51 18.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -56.11 -41.76 75.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.71 179.817 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -61.96 -47.29 85.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.39 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -54.86 -33.91 62.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.654 179.745 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.3 tpp -66.46 -58.38 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.294 179.507 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.531 ' HE1' HD13 ' B' ' 332' ' ' ILE . 3.9 m-85 -60.15 -30.04 69.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.782 179.633 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.15 -35.87 80.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.162 179.471 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.0 -31.99 39.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.241 179.37 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.809 HD22 HD11 ' C' ' 344' ' ' LEU . 17.9 mt -75.9 -30.68 58.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.433 179.531 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.5 ' ND2' HG23 ' A' ' 332' ' ' ILE . 53.0 t-20 -75.47 -42.6 52.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.637 179.727 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -72.52 -31.41 65.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.71 179.779 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.45 -33.01 58.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.996 179.825 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.719 HD13 ' CG ' ' A' ' 337' ' ' ARG . 0.6 OUTLIER -73.66 -31.57 63.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.736 179.837 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -69.79 -31.76 69.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 179.862 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 10.7 mt -67.56 -43.52 80.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -60.23 -31.78 70.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.19 -31.5 70.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.93 -40.16 60.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.427 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 9.4 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -130.44 97.7 4.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 4.1 m -64.78 113.7 3.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.706 HD13 ' CE1' ' D' ' 338' ' ' PHE . 14.2 tp -122.65 111.58 16.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -91.24 83.81 5.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.556 ' H ' HD12 ' C' ' 332' ' ' ILE . 3.8 mp -78.27 128.11 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.446 ' CD ' ' CE1' ' D' ' 327' ' ' TYR . 10.7 ttp180 -94.16 71.88 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -174.28 112.13 0.4 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.448 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.5 -31.46 70.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -76.96 -57.86 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.733 ' CG ' HD13 ' D' ' 348' ' ' LEU . 3.9 mtm180 -55.25 -40.65 71.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.721 179.801 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -63.12 -45.68 90.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.368 179.563 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -55.01 -35.05 63.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.634 179.706 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -66.09 -58.98 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.251 179.462 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.443 ' CD2' ' CD1' ' D' ' 341' ' ' PHE . 3.6 m-85 -61.27 -29.63 69.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.746 179.625 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -69.0 -36.56 77.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.199 179.356 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.69 -31.67 41.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.176 179.277 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.809 HD11 HD22 ' B' ' 344' ' ' LEU . 0.1 OUTLIER -75.84 -30.2 58.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.538 179.513 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -75.15 -42.0 57.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.717 179.793 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.29 -31.85 66.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.748 179.863 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.46 -32.75 60.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.944 179.869 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.808 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.5 mm? -72.82 -34.13 66.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.746 179.838 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -68.15 -31.03 70.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.6 mt -66.11 -42.11 89.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -60.93 -31.81 71.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.54 -33.64 69.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.91 -34.83 66.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.986 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.446 ' CE1' ' CD ' ' C' ' 333' ' ' ARG . 8.1 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.823 0.344 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -103.34 115.85 31.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.79 129.72 40.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 40.0 tp -133.13 108.5 8.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.15 114.58 26.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.418 HG21 ' HD2' ' D' ' 337' ' ' ARG . 3.8 mp -111.35 134.73 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.427 ' HG3' ' CE2' ' C' ' 327' ' ' TYR . 2.2 ttm105 -93.59 61.97 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -170.79 128.94 1.7 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.39 -30.2 61.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.75 0.31 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -77.27 -50.37 13.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.418 ' HD2' HG21 ' D' ' 332' ' ' ILE . 0.0 OUTLIER -56.19 -45.99 79.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.67 179.849 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.706 ' CE1' HD13 ' C' ' 330' ' ' LEU . 10.2 t80 -61.47 -46.69 88.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.242 179.538 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.11 -33.49 62.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.599 179.729 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.7 ttm -66.46 -58.95 4.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.252 179.51 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.443 ' CD1' ' CD2' ' C' ' 341' ' ' PHE . 4.5 m-85 -60.39 -29.75 69.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.709 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.7 -36.29 78.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.949 0.405 . . . . 0.0 110.132 179.451 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -79.42 -31.96 42.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.122 179.314 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.649 ' O ' HD12 ' D' ' 348' ' ' LEU . 0.3 OUTLIER -73.88 -32.35 63.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.34 179.438 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -72.08 -45.22 61.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.637 179.757 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.27 -30.76 63.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.62 179.708 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.21 -28.14 53.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.894 179.722 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.733 HD13 ' CG ' ' C' ' 337' ' ' ARG . 2.0 mt -75.79 -36.94 59.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.789 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.51 -26.46 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.74 -42.48 61.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.046 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.586 ' NZ ' ' HB2' ' A' ' 347' ' ' ALA . 0.0 OUTLIER -68.63 -27.55 66.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.023 -179.938 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -72.82 -33.29 66.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.41 -31.05 48.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.083 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.997 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.85 0.357 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -123.63 150.74 43.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.32 110.88 23.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.776 HD13 ' CE1' ' B' ' 338' ' ' PHE . 29.7 tp -103.39 109.9 21.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -98.94 116.4 31.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -116.51 151.76 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -98.88 32.32 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.48 124.81 4.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 70.2 ttt-85 -74.65 -50.45 17.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.767 0.318 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -66.52 -41.41 88.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.493 ' HD2' HD11 ' B' ' 348' ' ' LEU . 5.3 mmt-85 -58.32 -50.11 74.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.795 179.906 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.401 ' CE1' HD13 ' B' ' 330' ' ' LEU . 7.1 t80 -56.24 -43.01 78.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.704 179.906 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -56.17 -39.17 71.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.354 . . . . 0.0 110.48 179.745 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.1 tmm? -66.61 -60.28 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.945 179.163 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.466 ' CE1' HD13 ' B' ' 344' ' ' LEU . 9.3 m-85 -60.71 -22.45 63.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.158 179.605 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -73.29 -34.86 65.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.077 0.465 . . . . 0.0 109.972 179.182 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -76.36 -30.5 57.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.135 179.193 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.795 HD21 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -69.83 -38.79 76.65 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.519 179.629 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.6 ' OD1' HG23 ' B' ' 332' ' ' ILE . 27.4 m-80 -68.48 -45.6 71.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.769 179.865 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.565 ' O ' HD12 ' A' ' 350' ' ' LEU . 52.6 mt-10 -70.84 -32.91 70.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.772 179.822 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.74 -33.52 58.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.801 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.85 HD13 ' HD2' ' B' ' 337' ' ' ARG . 0.4 OUTLIER -73.76 -28.45 61.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.65 179.833 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -70.03 -30.39 67.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.707 179.71 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 346' ' ' GLU . 0.8 OUTLIER -64.04 -42.72 96.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.801 179.896 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -59.94 -44.11 94.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -33.22 74.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.87 -31.15 68.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.99 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.837 0.351 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -139.89 107.36 5.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 2.4 m -72.22 148.25 45.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.401 HD13 ' CE1' ' A' ' 338' ' ' PHE . 18.2 tp -147.03 106.19 3.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.7 83.79 7.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.6 HG23 ' OD1' ' A' ' 345' ' ' ASN . 5.1 mt -81.74 137.75 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.063 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -100.44 74.88 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.32 118.0 0.51 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.531 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -61.68 -40.56 95.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -74.61 -41.13 60.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.85 ' HD2' HD13 ' A' ' 348' ' ' LEU . 1.1 tpp85 -59.43 -51.68 68.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.708 179.903 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.776 ' CE1' HD13 ' A' ' 330' ' ' LEU . 6.9 t80 -59.25 -43.02 92.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.353 179.578 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -56.07 -34.21 65.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.49 179.563 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 39.0 ttm -66.84 -61.34 2.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.046 179.328 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.441 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 5.3 m-85 -60.9 -27.88 68.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.679 179.458 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -68.67 -31.85 71.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.029 179.236 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -78.86 -31.35 45.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.307 179.369 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.815 HD21 ' HG ' ' C' ' 344' ' ' LEU . 1.2 mt -72.54 -34.62 67.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.644 179.674 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.42 ' HA ' HD12 ' B' ' 348' ' ' LEU . 60.2 t-20 -72.42 -43.79 63.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.65 179.781 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.448 ' O ' HD23 ' B' ' 350' ' ' LEU . 42.1 mt-10 -68.58 -31.37 70.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.764 179.766 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.594 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -71.1 -35.8 71.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.991 179.847 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.493 HD11 ' HD2' ' A' ' 337' ' ' ARG . 9.5 mt -68.89 -38.56 79.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.698 179.878 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -63.81 -30.0 71.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.448 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.2 mm? -72.79 -32.45 65.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.506 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 0.0 OUTLIER -67.7 -31.86 72.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.86 -36.63 84.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.39 -31.29 71.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.059 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.982 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.801 0.334 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -93.03 88.48 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.69 125.9 27.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.618 ' O ' HD12 ' C' ' 332' ' ' ILE . 23.8 tp -128.08 111.85 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -83.05 104.23 13.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.618 HD12 ' O ' ' C' ' 330' ' ' LEU . 3.7 mp -105.78 149.33 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -110.41 78.05 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.65 105.42 0.19 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -30.0 67.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 111.006 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.7 -63.95 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.58 ' HD3' HG21 ' C' ' 332' ' ' ILE . 5.1 ptp85 -54.88 -40.32 69.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -65.18 -38.82 91.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.27 179.648 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -58.66 -38.57 78.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.641 179.788 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttm -64.46 -55.76 18.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.47 179.603 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.407 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 3.0 m-85 -61.59 -31.48 71.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.728 179.796 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -67.28 -34.99 78.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.225 179.532 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -80.31 -31.06 38.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.271 179.375 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.835 ' O ' HD23 ' C' ' 348' ' ' LEU . 1.4 mt -77.01 -32.17 56.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.541 179.623 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -75.66 -38.9 58.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.719 179.849 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -73.88 -32.02 63.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.66 179.822 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.594 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -73.75 -32.44 63.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.843 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.835 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.6 mm? -72.37 -39.75 67.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.745 179.903 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -66.91 -29.14 68.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.5 mt -70.05 -43.31 71.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -68.16 -29.79 68.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -71.17 -31.59 67.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.8 -31.25 70.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.054 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.982 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.872 0.368 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -134.18 114.1 12.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 1.3 m -73.07 131.96 42.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.553 ' O ' HD12 ' D' ' 332' ' ' ILE . 16.4 tp -121.2 106.09 11.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -83.8 99.62 10.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.553 HD12 ' O ' ' D' ' 330' ' ' LEU . 3.7 mp -98.5 117.12 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 15.0 ttt-85 -98.25 36.01 1.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.447 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -144.03 125.85 2.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.45 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -65.22 -38.41 90.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.35 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -73.31 -51.89 15.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.6 ttm105 -56.1 -40.04 73.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.749 179.853 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -61.85 -48.47 80.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.439 179.668 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.97 -34.18 59.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.709 179.715 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 4.4 mtp -66.5 -58.64 4.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.362 179.443 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.407 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 3.0 m-85 -60.44 -29.19 68.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.698 179.573 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -67.8 -38.42 83.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.181 179.445 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -76.75 -32.59 57.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.304 179.38 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.795 HD21 HD21 ' A' ' 344' ' ' LEU . 0.3 OUTLIER -73.89 -29.98 62.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.496 179.595 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -73.46 -43.44 60.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.695 179.846 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -71.35 -31.2 67.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.726 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.05 -34.49 59.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.02 179.861 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.468 HD23 ' O ' ' D' ' 344' ' ' LEU . 2.4 mm? -72.65 -30.75 64.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.8 179.861 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.5 -29.8 66.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.805 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.15 -38.42 88.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -33.62 73.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -69.02 -39.1 79.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.27 -32.93 72.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.915 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.42 ' CE1' ' HG3' ' B' ' 333' ' ' ARG . 5.4 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.762 0.315 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.421 ' CZ ' ' HG3' ' B' ' 335' ' ' ARG . 48.4 m-85 -142.68 102.87 4.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 3.9 m -77.85 107.63 10.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.774 HD13 ' CE1' ' B' ' 338' ' ' PHE . 13.1 tp -100.32 108.37 20.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -95.71 121.37 37.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -118.62 152.73 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.405 ' CG ' ' CE2' ' B' ' 327' ' ' TYR . 0.8 OUTLIER -104.76 36.87 2.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.84 133.12 5.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -70.44 -61.9 1.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.31 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.79 -34.24 72.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.631 ' HD2' HD22 ' B' ' 348' ' ' LEU . 1.0 OUTLIER -60.32 -52.68 64.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.712 179.886 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.439 ' CZ ' HD13 ' B' ' 330' ' ' LEU . 9.4 t80 -58.78 -46.02 88.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.344 179.604 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -55.82 -32.73 63.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.448 179.534 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.542 ' O ' HD12 ' A' ' 344' ' ' LEU . 7.0 ttm -66.77 -60.65 2.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.167 179.338 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.447 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 5.1 m-85 -60.34 -28.83 68.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.619 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -34.03 74.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.947 0.403 . . . . 0.0 110.133 179.33 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.87 -31.99 51.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.293 179.342 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.882 HD21 HD21 ' D' ' 344' ' ' LEU . 1.4 mp -72.72 -36.38 67.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.512 179.598 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -69.85 -42.18 73.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.647 179.807 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -72.93 -38.32 66.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.624 179.716 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.27 -27.62 59.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.815 179.718 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 40.0 tp -76.52 -31.03 57.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.796 179.855 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -74.38 -31.61 62.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 mt -70.04 -32.52 70.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.901 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.412 ' HZ1' ' HB2' ' D' ' 347' ' ' ALA . 76.2 mttt -64.92 -32.41 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 179.897 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.32 -31.41 72.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.12 -43.98 60.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.405 ' CE2' ' CG ' ' A' ' 333' ' ' ARG . 12.6 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.827 0.346 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.421 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 5.0 m-85 -130.28 131.83 45.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.5 145.62 28.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.623 HD23 HD11 ' B' ' 332' ' ' ILE . 13.2 tp -137.6 88.03 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -66.1 83.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.623 HD11 HD23 ' B' ' 330' ' ' LEU . 4.7 mt -93.08 152.55 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.42 ' HG3' ' CE1' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -108.05 39.41 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.36 113.44 1.06 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.464 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.421 ' HG3' ' CZ ' ' A' ' 328' ' ' PHE . 1.7 ttt-85 -68.47 -37.09 79.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.721 0.296 . . . . 0.0 111.007 -179.92 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -68.95 -58.71 3.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.949 -179.9 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -55.04 -45.99 75.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 0.0 110.772 179.859 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.774 ' CE1' HD13 ' A' ' 330' ' ' LEU . 3.9 t80 -60.5 -39.65 88.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.423 179.56 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.74 -39.9 78.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.695 179.762 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.8 ttm -63.48 -55.55 23.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.429 179.562 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.424 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 3.1 m-85 -61.0 -33.47 73.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.777 179.707 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -66.04 -33.44 75.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.276 179.513 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -80.14 -32.02 38.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.327 179.412 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.699 HD22 ' CD2' ' C' ' 344' ' ' LEU . 68.4 mt -76.46 -32.21 58.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.558 179.623 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -74.45 -39.24 62.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.505 179.699 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -74.5 -38.63 62.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.544 179.691 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.74 -27.59 60.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.793 179.575 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.631 HD22 ' HD2' ' A' ' 337' ' ' ARG . 8.2 tp -75.36 -33.71 61.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.661 179.815 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.83 -29.06 65.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.808 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.65 -44.61 61.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.61 ' HD3' HD12 ' B' ' 348' ' ' LEU . 6.9 ptmt -66.77 -30.37 70.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.799 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -69.33 -31.32 69.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.6 -31.22 68.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.053 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.971 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -98.04 91.47 5.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.67 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -71.58 122.24 20.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.983 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.924 HD23 HD11 ' C' ' 332' ' ' ILE . 20.2 tp -108.98 116.05 31.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.612 ' CG ' HG23 ' D' ' 329' ' ' THR . 13.1 mt-30 -98.6 85.5 3.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.924 HD11 HD23 ' C' ' 330' ' ' LEU . 3.8 mp -85.3 142.6 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -98.63 33.51 2.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.34 121.21 3.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.445 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -60.26 -46.46 89.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.94 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.79 -47.7 44.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.574 ' HG3' HD13 ' D' ' 348' ' ' LEU . 3.1 ttm180 -56.78 -44.08 81.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.785 179.91 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.436 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 11.8 t80 -60.57 -47.41 86.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.49 179.645 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.62 -33.99 61.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.604 179.77 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -66.56 -58.63 4.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.329 179.502 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.477 ' CD2' ' CD1' ' D' ' 341' ' ' PHE . 2.5 m-85 -64.06 -29.35 70.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.797 179.693 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.404 ' HG3' ' CE1' ' C' ' 338' ' ' PHE . 2.3 tmt_? -73.6 -34.14 64.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.2 179.422 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -81.57 -31.93 32.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.266 179.334 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.699 ' CD2' HD22 ' B' ' 344' ' ' LEU . 11.2 mt -77.94 -29.44 49.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.565 179.52 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.561 ' OD1' HG23 ' D' ' 332' ' ' ILE . 52.1 t30 -77.61 -38.83 47.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.601 179.751 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -72.99 -31.12 64.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.755 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.585 ' HB2' ' HD2' ' B' ' 351' ' ' LYS . . . -75.62 -35.47 60.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.002 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.495 HD12 ' CG ' ' D' ' 337' ' ' ARG . 12.1 mt -72.36 -32.0 66.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.742 179.888 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.4 -31.61 70.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.754 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -71.43 -42.98 67.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.76 -31.24 72.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -67.61 -31.58 71.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.04 -31.22 69.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.966 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.848 0.356 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.436 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 7.4 m-85 -131.91 139.13 48.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.67 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -105.44 144.99 31.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 17.0 tp -149.33 102.19 3.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -66.05 84.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.628 HG21 ' HE2' ' D' ' 341' ' ' PHE . 4.6 mt -82.36 115.01 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -84.45 106.88 16.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 141.34 122.38 1.83 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -68.48 -30.67 69.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.05 -47.17 53.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.495 ' CG ' HD12 ' C' ' 348' ' ' LEU . 8.1 mtm180 -57.41 -43.16 83.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.712 179.923 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.474 ' CE2' HD13 ' C' ' 330' ' ' LEU . 12.3 t80 -60.59 -47.7 85.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.44 179.705 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -54.2 -34.1 59.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.603 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.7 ttm -66.39 -59.26 3.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.266 179.468 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.628 ' HE2' HG21 ' D' ' 332' ' ' ILE . 4.3 m-85 -60.45 -29.42 69.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.774 179.62 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.49 -34.95 76.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.987 0.422 . . . . 0.0 110.196 179.446 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.3 -31.04 38.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.219 179.299 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.882 HD21 HD21 ' A' ' 344' ' ' LEU . 1.6 mp -76.09 -32.54 59.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.473 179.572 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -75.53 -41.51 54.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.612 179.805 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -73.61 -29.89 62.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.719 179.774 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.412 ' HB2' ' HZ1' ' A' ' 351' ' ' LYS . . . -76.97 -31.75 56.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.996 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.639 HD12 ' O ' ' D' ' 344' ' ' LEU . 0.7 OUTLIER -76.74 -31.23 56.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.778 179.901 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -73.77 -29.86 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.777 179.794 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 7.3 mt -72.92 -42.0 63.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.501 ' HD3' HD23 ' D' ' 348' ' ' LEU . 2.3 ptmm? -67.16 -30.53 70.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.65 -31.32 70.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.68 -38.53 70.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.964 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.401 ' CZ ' ' HB3' ' B' ' 333' ' ' ARG . 17.2 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.811 0.339 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -105.16 127.89 53.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 2.7 m -93.53 152.89 18.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.643 HD13 ' CE1' ' B' ' 338' ' ' PHE . 12.2 tp -152.07 101.7 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.54 ' NE2' ' CD1' ' B' ' 327' ' ' TYR . 4.5 tt0 -81.24 86.75 6.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.619 HD13 ' CD2' ' A' ' 341' ' ' PHE . 3.6 mt -82.32 149.68 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -107.41 86.03 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 162.84 118.5 0.46 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -31.29 72.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.311 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -75.33 -47.97 25.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -57.09 -45.13 83.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.639 179.876 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.434 ' CE1' ' HD2' ' A' ' 342' ' ' ARG . 11.9 t80 -60.84 -47.21 87.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.389 179.604 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.8 -34.15 62.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.689 179.666 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.49 ' O ' HD12 ' A' ' 344' ' ' LEU . 1.6 tpp -66.29 -58.01 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.317 179.541 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.619 ' CD2' HD13 ' A' ' 332' ' ' ILE . 3.4 m-85 -60.09 -30.44 69.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.759 179.66 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.434 ' HD2' ' CE1' ' A' ' 338' ' ' PHE . 10.6 ttt85 -66.66 -36.36 82.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.217 179.464 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -79.34 -31.68 43.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.287 179.388 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.805 ' O ' HD12 ' A' ' 348' ' ' LEU . 2.3 mp -76.56 -31.89 57.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.48 179.576 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.456 ' OD1' HG23 ' B' ' 332' ' ' ILE . 46.0 t30 -73.91 -39.71 63.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.655 179.701 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.583 ' O ' HD12 ' A' ' 350' ' ' LEU . 9.8 mt-10 -72.39 -37.13 68.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.663 179.836 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.506 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . . . -73.17 -30.92 63.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.855 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.848 HD13 ' HG2' ' B' ' 337' ' ' ARG . 0.3 OUTLIER -73.38 -33.54 65.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.76 179.886 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -68.45 -31.01 70.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.68 HD23 ' OE1' ' D' ' 354' ' ' GLN . 0.7 OUTLIER -65.63 -39.73 91.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.965 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -59.31 -32.11 69.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.975 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.22 -31.12 54.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -79.7 -31.4 41.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.54 ' CD1' ' NE2' ' A' ' 331' ' ' GLN . 6.7 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.865 0.364 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -155.69 115.55 3.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.92 138.66 46.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.408 HD13 ' CE2' ' A' ' 338' ' ' PHE . 11.2 tp -131.81 106.69 8.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -103.19 121.09 41.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.494 HD13 ' CE2' ' B' ' 341' ' ' PHE . 4.0 mt -125.24 150.64 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.097 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 327' ' ' TYR . 10.0 ptt180 -99.43 33.71 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.99 128.23 3.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.37 -32.2 66.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.26 -48.01 38.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.848 ' HG2' HD13 ' A' ' 348' ' ' LEU . 12.2 mtm180 -57.37 -44.07 84.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.704 179.867 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.643 ' CE1' HD13 ' A' ' 330' ' ' LEU . 10.9 t80 -60.24 -46.58 89.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.434 179.682 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -54.14 -35.49 62.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.695 179.701 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.483 ' O ' HD12 ' B' ' 344' ' ' LEU . 0.6 OUTLIER -66.29 -58.89 4.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.269 179.506 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.494 ' CE2' HD13 ' B' ' 332' ' ' ILE . 3.3 m-85 -60.88 -28.06 68.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.723 179.597 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -68.44 -33.75 74.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.269 179.432 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.47 -33.04 36.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.324 179.49 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.806 ' O ' HD23 ' B' ' 348' ' ' LEU . 3.6 mp -77.83 -30.58 51.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.523 179.605 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -76.69 -36.24 57.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.772 179.796 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -76.32 -30.37 57.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.85 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.12 -30.1 49.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.991 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.806 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.7 mm? -77.53 -34.76 53.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 179.929 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -74.65 -29.68 61.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 5.8 mt -73.64 -32.03 63.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -69.89 -31.58 69.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -70.33 -30.99 68.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.39 -40.19 85.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.947 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.808 0.337 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.437 ' N ' ' CD1' ' C' ' 328' ' ' PHE . 3.5 m-85 -127.16 101.5 6.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.457 HG23 ' HG3' ' D' ' 331' ' ' GLN . 0.2 OUTLIER -74.68 143.75 44.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.425 HD23 HD11 ' C' ' 332' ' ' ILE . 13.4 tp -151.76 110.26 3.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.513 ' HG3' HG23 ' D' ' 329' ' ' THR . 42.3 mt-30 -95.75 128.14 42.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.425 HD11 HD23 ' C' ' 330' ' ' LEU . 4.3 mt -127.07 151.8 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.75 35.57 2.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.01 124.84 4.09 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.444 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -75.85 -35.18 60.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.791 0.329 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -77.1 -42.23 38.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.611 ' HD2' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -59.67 -52.64 64.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.572 179.851 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -59.91 -42.29 93.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.117 179.512 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -55.91 -35.02 66.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.471 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.8 ttm -66.47 -61.02 2.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.074 179.35 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.486 ' CD1' ' CD2' ' D' ' 341' ' ' PHE . 6.6 m-85 -58.79 -26.35 63.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.825 179.498 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -37.09 81.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.891 0.377 . . . . 0.0 110.149 179.375 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.54 -32.48 53.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.403 179.422 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.819 ' O ' HD23 ' C' ' 348' ' ' LEU . 82.1 mt -75.59 -30.78 59.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.602 179.641 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -73.57 -40.06 64.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.662 179.764 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.435 ' O ' HD23 ' C' ' 350' ' ' LEU . 17.1 mt-10 -69.51 -36.3 76.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.758 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.71 -35.78 72.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.012 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.819 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.7 mm? -68.52 -34.7 76.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.756 179.884 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.87 -31.89 73.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.435 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.9 mm? -72.46 -36.72 68.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -67.44 -31.55 71.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -66.0 -32.05 73.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.22 -31.91 70.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.99 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.88 0.371 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -144.25 109.53 5.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.513 HG23 ' HG3' ' C' ' 331' ' ' GLN . 1.8 m -75.94 138.6 41.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 1.0 HD23 HD11 ' D' ' 332' ' ' ILE . 23.8 tp -132.57 117.21 17.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.457 ' HG3' HG23 ' C' ' 329' ' ' THR . 19.2 mp0 -99.42 84.02 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 1.0 HD11 HD23 ' D' ' 330' ' ' LEU . 3.9 mp -81.43 122.27 36.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 36.4 ptt85 -97.78 37.64 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.79 133.65 6.64 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -64.24 -66.15 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.775 0.322 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -59.68 -38.46 81.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.501 ' HG2' HG21 ' D' ' 332' ' ' ILE . 14.9 ttp-105 -59.26 -51.68 68.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.565 179.769 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -62.69 -47.64 82.76 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.23 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -55.77 -30.92 62.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.393 179.383 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 4.3 ttm -66.81 -59.67 3.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.306 179.45 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.486 ' CD2' ' CD1' ' C' ' 341' ' ' PHE . 2.5 m-85 -60.62 -30.02 69.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.709 179.585 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -39.68 80.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.342 179.499 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.35 -30.44 48.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.274 179.414 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.746 HD11 HD21 ' A' ' 344' ' ' LEU . 0.5 OUTLIER -77.74 -31.35 52.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.509 179.65 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -77.73 -40.25 41.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.574 179.728 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -76.35 -30.36 57.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.614 179.667 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.37 -31.23 42.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.763 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.661 HD12 ' O ' ' D' ' 344' ' ' LEU . 7.7 mt -76.8 -31.12 56.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.601 179.791 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -71.47 -30.35 65.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.816 179.771 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.61 -37.1 84.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 179.886 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.506 ' HE3' ' HB2' ' A' ' 347' ' ' ALA . 27.1 mttt -60.29 -35.29 75.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -68.1 -31.67 71.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.53 -41.59 65.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.68 ' OE1' HD23 ' A' ' 350' ' ' LEU . 1.4 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.858 0.361 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -156.94 149.0 22.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -141.27 96.2 2.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.424 ' CG2' HG22 ' B' ' 329' ' ' THR . 3.2 m -70.97 117.18 12.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.64 HD13 ' CE2' ' B' ' 338' ' ' PHE . 47.6 tp -112.4 102.23 10.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -73.19 113.72 10.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.478 HD11 ' CD2' ' A' ' 330' ' ' LEU . 23.5 mm -104.46 140.18 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.408 ' HG2' ' CE2' ' B' ' 327' ' ' TYR . 83.1 mtt180 -113.96 38.48 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.446 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -151.2 135.75 5.24 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.434 ' HD2' ' CZ ' ' B' ' 328' ' ' PHE . 4.6 tpt180 -75.82 -37.22 59.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -76.26 -52.0 10.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.421 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 6.7 ttm180 -56.15 -43.75 78.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.778 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.408 ' CE1' HD13 ' B' ' 330' ' ' LEU . 10.6 t80 -61.87 -46.43 89.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.38 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -55.2 -33.8 63.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.653 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.5 ttm -66.41 -58.62 4.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.326 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.421 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.7 m-85 -59.93 -29.48 68.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.782 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -35.09 79.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.172 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -79.7 -32.78 41.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.254 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.903 HD21 HD11 ' D' ' 344' ' ' LEU . 0.8 OUTLIER -75.25 -31.01 60.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.433 179.529 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -73.7 -42.23 61.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.68 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -71.25 -33.5 69.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.691 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.409 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -72.72 -31.22 64.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.822 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.2 mm? -71.86 -39.47 69.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -65.53 -31.43 72.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.9 -32.24 69.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.785 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -65.96 -31.5 72.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -62.72 -31.64 72.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.24 -31.25 67.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -89.18 -41.56 12.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -111.63 137.08 49.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.451 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.82 0.343 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.408 ' CE2' ' HG2' ' A' ' 333' ' ' ARG . 5.9 m-85 -133.31 147.71 51.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.434 ' CZ ' ' HD2' ' A' ' 335' ' ' ARG . 18.4 m-85 -142.94 93.48 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.424 HG22 ' CG2' ' A' ' 329' ' ' THR . 0.2 OUTLIER -63.41 117.68 7.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.803 HD23 HD11 ' B' ' 332' ' ' ILE . 9.4 tp -113.59 113.73 25.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -97.19 128.02 43.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.803 HD11 HD23 ' B' ' 330' ' ' LEU . 3.8 mp -135.71 145.74 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 -98.29 35.53 1.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.27 106.31 0.67 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -62.05 -31.97 72.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.34 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -74.4 -50.96 16.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.416 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 4.9 ttm180 -56.7 -41.53 77.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.748 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.64 ' CE2' HD13 ' A' ' 330' ' ' LEU . 11.7 t80 -61.9 -47.3 85.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.428 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -54.35 -35.06 62.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.645 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.5 ttm -65.36 -58.47 5.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.272 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.416 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 5.4 m-85 -58.47 -30.75 67.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.714 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -63.93 -37.92 89.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.163 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -76.84 -33.59 57.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.225 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.868 HD21 HD21 ' C' ' 344' ' ' LEU . 0.7 OUTLIER -72.61 -32.64 66.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.327 179.469 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -69.48 -45.05 69.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.667 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -70.94 -29.4 65.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.834 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.0 -29.22 55.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.739 HD13 ' HD3' ' B' ' 351' ' ' LYS . 1.6 mm? -75.77 -36.12 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -70.92 -29.45 65.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.781 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.02 -44.18 55.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.779 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.739 ' HD3' HD13 ' B' ' 348' ' ' LEU . 14.2 ptmm? -69.79 -30.32 67.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -73.85 -31.31 63.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.1 -34.6 73.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.067 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -77.19 -33.01 56.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -92.81 -169.82 2.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.541 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.813 0.339 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.405 ' O ' ' CD1' ' C' ' 328' ' ' PHE . 94.1 m-85 61.82 150.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' C' ' 327' ' ' TYR . 13.0 m-85 -138.38 107.98 6.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 6.0 m -76.65 129.87 36.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' C' ' 330' ' ' LEU . 15.4 tp -129.28 105.92 8.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -84.89 124.87 32.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.421 HG21 ' HB3' ' C' ' 337' ' ' ARG . 3.8 mp -116.52 117.87 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.428 ' HB3' ' CZ ' ' D' ' 327' ' ' TYR . 0.2 OUTLIER -68.99 -30.39 68.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -80.11 128.97 8.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.459 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 9.4 ttp85 -71.93 -36.62 69.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.766 0.317 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.15 -47.75 60.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.421 ' HB3' HG21 ' C' ' 332' ' ' ILE . 6.2 ttm180 -57.29 -42.1 81.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.772 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.44 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 12.8 t80 -60.89 -47.8 84.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.488 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -54.42 -34.85 62.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.782 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.8 ttm -66.05 -56.89 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.388 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -61.16 -31.21 70.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.632 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.402 ' HG3' ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -65.77 -33.03 74.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.203 179.426 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -75.95 -35.36 59.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.381 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.868 HD21 HD21 ' B' ' 344' ' ' LEU . 2.4 mp -72.66 -38.86 67.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.45 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.417 ' OD1' HG23 ' D' ' 332' ' ' ILE . 21.0 t30 -66.84 -36.24 81.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.497 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.72 -47.4 63.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.628 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.715 ' HB2' ' HD2' ' B' ' 351' ' ' LYS . . . -65.61 -28.87 69.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.654 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.888 HD22 ' HG2' ' D' ' 337' ' ' ARG . 7.1 tp -68.9 -39.91 79.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.755 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.98 -33.56 75.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.3 mp -66.55 -38.86 88.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.805 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -60.22 -36.05 76.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -62.31 -37.98 87.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.46 -31.0 70.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -113.08 29.38 8.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -161.98 80.13 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.494 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.814 0.34 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.428 ' CZ ' ' HB3' ' C' ' 333' ' ' ARG . 10.2 m-85 -82.12 152.96 26.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.44 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 30.2 m-85 -140.44 119.39 12.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.37 121.85 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 16.4 tp -124.44 107.42 11.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -80.68 125.04 29.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.417 HG23 ' OD1' ' C' ' 345' ' ' ASN . 4.7 mt -127.34 137.18 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.049 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 28.4 ttp85 -98.1 36.21 1.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.67 115.49 1.71 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.504 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -40.03 94.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.75 0.309 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.98 -47.7 24.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.888 ' HG2' HD22 ' C' ' 348' ' ' LEU . 2.0 tpt180 -57.35 -48.63 78.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.714 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -62.56 -45.21 93.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.081 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -56.18 -32.65 64.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.45 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.2 ttm -66.25 -60.25 2.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.184 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.551 ' HE2' HD22 ' C' ' 344' ' ' LEU . 6.6 m-85 -59.0 -29.88 67.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.804 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -37.53 85.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.094 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.15 -31.18 49.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.237 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.903 HD11 HD21 ' A' ' 344' ' ' LEU . 1.0 OUTLIER -74.41 -30.45 61.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.519 179.607 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -74.32 -44.07 54.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.684 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -71.67 -30.89 66.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.793 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.409 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -76.88 -31.46 56.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.057 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.469 HD23 ' O ' ' D' ' 344' ' ' LEU . 1.9 mm? -75.02 -31.9 61.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.764 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -71.83 -33.12 68.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 19.1 mt -69.78 -37.25 76.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -64.55 -31.31 72.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.53 -33.0 74.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.96 -31.16 71.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -93.4 -41.89 9.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.03 -170.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.492 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.791 0.329 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -129.47 153.12 48.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.417 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 13.2 m-85 -134.07 84.01 2.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.24 101.42 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.596 HD12 ' CE2' ' B' ' 338' ' ' PHE . 5.1 tt -101.73 124.34 47.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.592 ' HG3' HG22 ' B' ' 329' ' ' THR . 1.7 mp0 -105.91 136.17 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.559 HD11 HD22 ' A' ' 330' ' ' LEU . 3.7 mp -130.31 151.42 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -100.4 31.75 3.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -139.71 129.38 4.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.86 -34.59 69.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.758 0.314 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -75.22 -39.21 60.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.454 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 1.8 tpp180 -59.86 -52.21 66.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.683 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.492 ' CD1' HD12 ' B' ' 330' ' ' LEU . 7.6 t80 -59.78 -43.84 94.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.221 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -55.92 -34.79 65.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.553 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 4.7 ttp -65.64 -59.73 3.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.25 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.454 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 6.1 m-85 -59.06 -28.86 66.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.773 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -36.16 82.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.138 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -78.64 -31.53 46.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.396 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.628 ' O ' HD12 ' A' ' 348' ' ' LEU . 86.0 mt -77.36 -30.32 53.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.622 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -75.69 -37.94 59.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.713 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.27 -36.04 66.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.689 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.54 -31.85 67.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.797 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.8 OUTLIER -70.54 -41.62 72.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.571 179.699 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -72.62 -25.07 61.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.538 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.429 ' HA ' HD12 ' A' ' 350' ' ' LEU . 8.9 tp -74.07 -36.84 64.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.868 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -72.34 -29.29 63.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -72.15 -31.3 65.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.917 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.19 -31.67 72.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.06 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -94.99 -31.51 13.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . 60.67 111.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.35 -1.25 . . . . 0.0 112.488 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.794 0.33 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -97.28 152.63 18.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -148.14 142.23 26.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.592 HG22 ' HG3' ' A' ' 331' ' ' GLN . 0.7 OUTLIER -102.43 146.75 27.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.492 HD12 ' CD1' ' A' ' 338' ' ' PHE . 6.9 tt -143.02 94.84 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -61.02 121.67 13.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mt -121.79 112.3 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 11.8 ttt85 -96.8 39.19 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -142.06 129.97 4.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.448 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.94 -66.26 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.792 0.33 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.66 -38.01 80.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.827 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.474 ' HG2' ' CE2' ' B' ' 341' ' ' PHE . 29.2 ttm180 -60.4 -53.52 56.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.529 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.596 ' CE2' HD12 ' A' ' 330' ' ' LEU . 7.8 t80 -61.85 -44.26 97.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.987 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -57.63 -31.56 66.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.432 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.4 ttp -67.59 -59.34 3.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.327 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.474 ' CE2' ' HG2' ' B' ' 337' ' ' ARG . 1.8 m-85 -63.3 -28.24 69.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.702 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -37.58 65.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.386 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 343' ' ' GLU . . . . . 0.677 ' OE2' HD21 ' C' ' 348' ' ' LEU . 3.0 tm-20 -79.17 -32.15 44.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.277 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.764 HD11 HD21 ' C' ' 344' ' ' LEU . 0.5 OUTLIER -77.45 -30.55 53.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.52 179.62 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -76.11 -37.68 57.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.709 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -31.02 63.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.705 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.522 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -74.36 -35.37 63.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.062 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.741 HD23 ' O ' ' B' ' 344' ' ' LEU . 2.7 mm? -72.34 -35.14 68.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.747 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -69.44 -31.49 69.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.811 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mt -66.55 -35.72 80.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -36.42 77.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.47 -35.38 80.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.05 -39.61 72.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -69.72 -31.57 69.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -137.62 115.98 11.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.483 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 326' ' ' GLU . . . . . 0.424 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 2.3 mm-40 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.806 0.336 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.437 ' CE1' ' HG2' ' D' ' 333' ' ' ARG . 5.9 m-85 -103.24 141.75 35.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.424 ' CZ ' ' HB3' ' C' ' 326' ' ' GLU . 63.6 m-85 -138.58 115.52 10.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 7.8 m -71.08 124.67 24.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 54.3 tp -131.21 119.4 21.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -104.97 123.86 48.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.524 HG23 ' ND2' ' D' ' 345' ' ' ASN . 3.6 mp -120.78 131.65 72.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -88.12 76.15 8.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.42 119.98 0.6 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.442 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.7 ttt85 -67.35 -31.04 71.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -74.54 -51.61 14.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -56.46 -41.86 77.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.717 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -61.95 -47.01 86.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.377 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -54.75 -34.26 62.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.641 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.511 ' O ' HD12 ' C' ' 344' ' ' LEU . 6.1 mtm -66.43 -58.6 4.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.313 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -59.6 -29.12 67.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.746 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -37.86 85.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.145 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -78.49 -32.16 48.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.274 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.764 HD21 HD11 ' B' ' 344' ' ' LEU . 2.2 mp -75.36 -30.38 60.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.51 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.501 HD21 HD12 ' D' ' 332' ' ' ILE . 21.2 m-20 -73.99 -41.97 61.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.713 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.08 -31.45 62.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.709 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.495 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -78.64 -30.81 46.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.956 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.831 HD13 ' CG ' ' D' ' 337' ' ' ARG . 3.1 mt -77.57 -29.18 51.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.815 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -74.76 -31.13 61.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.809 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.3 mt -69.47 -34.91 75.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.522 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 9.2 mttm -63.59 -31.52 72.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -62.05 -31.97 72.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.13 72.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.07 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -68.38 -35.3 77.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -107.98 33.35 4.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.403 -1.22 . . . . 0.0 112.513 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.819 0.342 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -96.85 152.85 18.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -133.99 91.92 2.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.75 148.34 47.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 21.9 tp -160.43 98.65 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -67.48 102.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.501 HD12 HD21 ' C' ' 345' ' ' ASN . 27.3 mm -82.25 131.13 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.437 ' HG2' ' CE1' ' C' ' 327' ' ' TYR . 3.5 tmt_? -96.74 77.21 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 160.72 127.87 0.92 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -31.03 69.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.337 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -75.83 -51.84 11.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.831 ' CG ' HD13 ' C' ' 348' ' ' LEU . 7.4 mtm180 -56.64 -43.74 80.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.674 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -61.45 -45.83 92.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.403 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.25 -34.67 64.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.648 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.485 ' O ' HD12 ' D' ' 344' ' ' LEU . 21.9 ttm -66.44 -58.27 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.334 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -61.72 -29.53 70.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.664 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -68.26 -33.45 74.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.247 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -81.12 -32.91 33.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.287 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.815 ' O ' HD23 ' D' ' 348' ' ' LEU . 2.7 mp -77.67 -31.02 52.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.457 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.524 ' ND2' HG23 ' C' ' 332' ' ' ILE . 62.8 t-20 -75.68 -37.93 59.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.614 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.527 ' O ' HD12 ' D' ' 350' ' ' LEU . 21.7 mt-10 -72.27 -35.72 68.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.666 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.96 -33.93 70.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.815 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.6 mm? -70.03 -38.65 75.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.75 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -64.74 -31.03 72.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.527 HD12 ' O ' ' D' ' 346' ' ' GLU . 0.6 OUTLIER -65.04 -43.23 93.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -59.95 -37.41 79.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -70.56 -31.92 69.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.37 -31.31 62.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -72.32 -31.72 65.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -103.46 77.93 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.529 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.786 0.327 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' B' ' 333' ' ' ARG . 66.1 m-85 -147.87 118.11 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -107.39 105.16 14.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.17 149.3 49.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 18.4 tp -153.13 113.92 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -90.33 109.95 21.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -110.01 145.25 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -98.7 77.35 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 174.05 111.39 0.27 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 22.8 ptt-85 -61.49 -33.31 73.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.341 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -72.78 -42.75 63.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.75 ' HG3' HD23 ' B' ' 348' ' ' LEU . 7.0 ttm180 -58.61 -50.58 73.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.731 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.831 ' CE1' HD13 ' B' ' 330' ' ' LEU . 7.2 t80 -58.32 -43.26 88.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.378 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -54.81 -35.39 63.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.591 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.492 ' O ' HD12 ' A' ' 344' ' ' LEU . 9.3 mmm -66.32 -61.04 2.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.104 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -60.39 -27.28 67.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.716 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -33.41 74.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.978 0.418 . . . . 0.0 110.062 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.08 -31.44 34.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.24 179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.499 HD21 HD21 ' D' ' 344' ' ' LEU . 3.7 mp -76.61 -31.76 57.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.534 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -76.08 -40.65 52.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.672 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -73.87 -30.83 62.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.658 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.631 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -75.33 -31.18 60.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.576 HD13 ' CG ' ' B' ' 337' ' ' ARG . 8.6 mt -74.02 -38.41 64.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.754 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.04 -31.71 70.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.801 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 9.0 mt -67.43 -34.45 77.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.64 -33.9 74.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.798 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.02 -36.97 85.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.98 -31.32 69.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.093 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -112.17 29.19 8.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -150.88 165.63 33.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.091 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.424 -1.209 . . . . 0.0 112.488 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 326' ' ' GLU . . . . . 0.419 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 4.8 mm-40 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.826 0.346 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -71.18 118.11 13.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.419 ' CZ ' ' HB3' ' B' ' 326' ' ' GLU . 58.4 m-85 -107.24 110.55 22.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.59 152.96 42.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.831 HD13 ' CE1' ' A' ' 338' ' ' PHE . 61.6 tp -153.59 115.83 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.89 115.66 25.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.459 HD11 ' CD2' ' B' ' 330' ' ' LEU . 29.8 mm -101.05 115.2 42.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.433 ' HB3' ' CE2' ' A' ' 327' ' ' TYR . 4.6 ptm180 -86.47 69.34 10.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 164.53 121.92 0.58 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -28.37 67.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.722 0.296 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.12 -51.38 12.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.576 ' CG ' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -55.93 -46.02 78.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.687 179.831 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -60.79 -45.52 94.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.371 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -55.6 -35.2 65.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.676 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 5.0 ttp -67.64 -58.43 4.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.248 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -62.62 -25.98 68.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.7 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -71.91 -40.57 68.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.197 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -76.58 -30.67 57.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.316 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.778 ' O ' HD13 ' B' ' 348' ' ' LEU . 71.0 mt -76.63 -31.68 57.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.602 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -72.29 -39.22 68.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.509 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -69.09 -42.56 76.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.671 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.82 -26.23 62.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.778 HD13 ' O ' ' B' ' 344' ' ' LEU . 4.0 mp -74.93 -31.46 61.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.822 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -70.0 -31.0 68.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 10.1 mt -71.0 -45.6 63.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -31.28 71.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -70.39 -31.5 68.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.06 -31.3 61.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -91.62 -38.2 12.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -85.33 159.21 20.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.482 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 326' ' ' GLU . . . . . 0.442 ' HG3' ' CZ ' ' C' ' 328' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.813 0.339 . . . . 0.0 111.18 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -108.15 152.82 24.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.442 ' CZ ' ' HG3' ' C' ' 326' ' ' GLU . 47.6 m-85 -153.81 97.54 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.2 m -68.72 143.55 54.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 1.035 HD23 HD11 ' C' ' 332' ' ' ILE . 14.7 tp -143.33 115.07 8.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -94.13 84.15 4.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 1.035 HD11 HD23 ' C' ' 330' ' ' LEU . 3.8 mp -92.04 129.28 42.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.58 32.57 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.512 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -118.41 114.58 2.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -50.58 72.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.326 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -70.08 -41.49 74.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.807 ' CD ' HD13 ' D' ' 348' ' ' LEU . 1.5 tpp85 -59.31 -51.53 69.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.702 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.657 ' CE2' HD13 ' D' ' 330' ' ' LEU . 7.2 t80 -59.74 -43.3 94.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.268 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.78 -35.1 65.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.548 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.1 mmm -66.05 -60.13 3.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.162 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.456 ' CD2' ' CD1' ' D' ' 341' ' ' PHE . 5.4 m-85 -60.08 -27.81 67.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.694 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.6 ttp85 -67.63 -33.73 75.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.201 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -81.1 -31.61 34.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.339 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.765 ' O ' HD23 ' C' ' 348' ' ' LEU . 7.1 mt -78.48 -30.19 47.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.596 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -77.64 -36.97 50.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.677 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.452 ' O ' HD23 ' C' ' 350' ' ' LEU . 12.0 tt0 -75.16 -31.72 61.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.774 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.79 -31.91 57.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.765 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.7 mm? -75.53 -33.25 60.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.77 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -73.01 -33.24 65.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.452 HD23 ' O ' ' C' ' 346' ' ' GLU . 2.7 mm? -70.57 -31.6 68.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -67.13 -31.67 72.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.66 -31.37 72.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.51 -41.58 84.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.05 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -61.08 -32.12 71.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.32 121.37 40.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.546 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.833 0.349 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -84.9 103.1 13.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -88.07 97.72 11.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.53 140.28 46.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.657 HD13 ' CE2' ' C' ' 338' ' ' PHE . 10.6 tp -136.23 115.35 12.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -96.75 86.09 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.561 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.7 mp -76.74 137.18 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.29 34.35 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -144.14 140.18 9.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.466 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -74.1 -56.74 4.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -62.74 -35.91 81.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.478 ' HB3' HG21 ' D' ' 332' ' ' ILE . 0.0 OUTLIER -60.58 -53.34 58.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.602 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.755 ' CE2' HD13 ' C' ' 330' ' ' LEU . 8.3 t80 -61.1 -45.12 96.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.052 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -56.59 -32.45 65.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.343 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.5 ttp -66.61 -60.67 2.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.139 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.466 ' CE2' ' HG3' ' D' ' 337' ' ' ARG . 5.0 m-85 -59.39 -29.41 67.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.97 -39.6 83.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.134 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -76.55 -29.86 56.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.156 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.499 HD21 HD21 ' A' ' 344' ' ' LEU . 1.1 mp -74.54 -37.08 63.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.502 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -69.45 -39.23 77.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.786 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -75.74 -31.13 59.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.731 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.631 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -79.61 -31.63 41.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.807 HD13 ' CD ' ' C' ' 337' ' ' ARG . 1.5 mt -77.96 -28.1 49.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.769 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -75.65 -29.84 59.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.778 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 8.6 mt -72.11 -39.77 68.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.553 ' HD3' HD23 ' D' ' 348' ' ' LEU . 0.3 OUTLIER -70.45 -32.84 70.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.2 -31.63 67.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.24 -31.16 69.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -92.45 -31.29 15.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -111.68 84.98 2.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.474 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.78 0.324 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 63.15 140.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -150.03 114.61 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.18 152.89 31.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.512 ' HG ' HD11 ' A' ' 332' ' ' ILE . 6.8 tp -142.86 103.75 4.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.413 ' HB3' ' CD1' ' B' ' 327' ' ' TYR . 22.0 mt-30 -90.17 104.4 16.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.512 HD11 ' HG ' ' A' ' 330' ' ' LEU . 26.9 mm -107.55 103.83 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.425 ' HB2' ' CE1' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -64.14 -31.92 73.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -75.58 132.96 13.77 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -73.41 -40.95 63.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -71.36 -42.78 68.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.752 ' HG3' HD13 ' B' ' 348' ' ' LEU . 0.1 OUTLIER -57.73 -48.91 78.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.776 179.867 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.443 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 11.0 t80 -59.17 -46.23 88.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.415 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -54.81 -34.66 63.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.599 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.421 ' CE ' HD22 ' B' ' 344' ' ' LEU . 5.7 tmm? -65.9 -59.01 4.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.273 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.405 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 5.8 m-85 -58.19 -28.77 65.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.784 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -65.05 -40.0 94.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.059 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -76.37 -32.76 58.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.179 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.841 HD11 HD22 ' D' ' 344' ' ' LEU . 0.1 OUTLIER -72.27 -29.76 64.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.361 179.474 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.08 -47.75 49.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.635 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.482 ' O ' HD23 ' A' ' 350' ' ' LEU . 2.4 tp10 -69.86 -31.18 68.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.767 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.58 -31.39 57.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.067 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.786 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.1 mm? -74.05 -31.29 62.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.78 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -69.24 -32.11 71.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.789 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 346' ' ' GLU . 4.1 mm? -76.47 -32.79 58.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.803 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.544 ' HG3' HD22 ' D' ' 350' ' ' LEU . 2.0 ttpt -73.88 -31.36 63.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -71.07 -31.48 67.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.73 -31.15 70.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -95.89 -36.35 11.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.94 -55.93 27.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.41 -1.216 . . . . 0.0 112.469 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 326' ' ' GLU . . . . . 0.401 ' O ' ' CE1' ' B' ' 328' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.852 0.358 . . . . 0.0 111.154 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.425 ' CE1' ' HB2' ' A' ' 333' ' ' ARG . 13.8 m-85 -76.86 106.7 8.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.443 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 20.8 m-85 -98.79 96.88 8.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.3 149.42 33.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 7.4 tp -151.32 107.52 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -80.12 108.53 13.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.542 HG22 ' H ' ' B' ' 334' ' ' GLY . 3.7 mp -99.21 133.76 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.73 30.81 3.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.542 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -137.88 114.3 1.07 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -60.79 -35.7 77.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -74.58 -50.46 17.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.416 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 5.4 ttm180 -56.83 -42.74 80.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.773 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -61.48 -46.6 89.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.395 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -54.58 -34.7 62.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.727 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -65.76 -58.25 6.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.338 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.586 ' HE2' HD22 ' A' ' 344' ' ' LEU . 5.2 m-85 -60.03 -30.77 69.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.715 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -33.34 75.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.969 0.414 . . . . 0.0 110.168 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -81.97 -30.92 31.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.291 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.537 HD21 ' CG ' ' C' ' 344' ' ' LEU . 0.9 OUTLIER -78.81 -30.2 45.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.616 179.581 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -79.24 -37.67 37.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.578 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -77.17 -30.58 54.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.647 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.428 ' HB2' ' CE ' ' C' ' 351' ' ' LYS . . . -79.1 -30.84 44.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.752 HD13 ' HG3' ' A' ' 337' ' ' ARG . 9.2 mt -77.65 -32.04 53.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.706 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.46 -30.35 63.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.741 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.05 -34.31 75.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -63.13 -33.04 74.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.66 -31.52 69.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.13 -38.29 85.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -63.09 -32.81 74.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -83.99 121.59 27.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.323 -1.265 . . . . 0.0 112.493 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 326' ' ' GLU . . . . . 0.427 ' HG2' ' CZ ' ' C' ' 328' ' ' PHE . 1.1 tp10 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.791 0.329 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -134.72 113.41 11.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.427 ' CZ ' ' HG2' ' C' ' 326' ' ' GLU . 8.3 m-85 -101.24 111.32 23.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.2 m -76.33 114.05 14.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.698 HD13 ' CE1' ' D' ' 338' ' ' PHE . 18.5 tp -102.62 108.67 20.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -97.97 102.04 13.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.61 HD11 HD23 ' C' ' 330' ' ' LEU . 3.8 mp -102.6 139.48 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.4 34.22 2.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -138.28 119.96 1.9 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.439 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -60.32 -51.64 68.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.781 0.324 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -65.57 -34.89 79.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.878 ' HD2' HD13 ' D' ' 348' ' ' LEU . 0.8 OUTLIER -60.78 -53.1 61.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.76 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -57.86 -43.81 86.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.315 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -55.39 -34.63 64.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.52 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.555 ' O ' HD12 ' C' ' 344' ' ' LEU . 4.3 ttp -66.78 -61.08 2.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.088 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.456 ' CD2' ' CD2' ' D' ' 341' ' ' PHE . 5.9 m-85 -59.56 -26.51 65.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.698 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -67.47 -36.09 80.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.071 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -77.86 -33.0 52.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.242 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.555 HD12 ' O ' ' C' ' 340' ' ' MET . 3.5 mp -72.55 -31.24 65.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.411 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.96 -46.51 57.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.574 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -68.97 -33.57 73.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.779 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.11 -31.46 62.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.571 HD13 ' HB3' ' D' ' 337' ' ' ARG . 10.1 mt -71.92 -34.36 69.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.771 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.55 -31.25 71.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.853 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 8.8 mt -63.9 -36.41 83.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.428 ' CE ' ' HB2' ' B' ' 347' ' ' ALA . 53.8 mttt -65.68 -32.77 74.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -66.93 -32.68 74.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.31 -32.67 74.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -80.83 -47.32 14.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . 60.54 32.9 20.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.432 -1.205 . . . . 0.0 112.511 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 326' ' ' GLU . . . . . 0.401 ' O ' ' CE2' ' D' ' 328' ' ' PHE . 6.9 mp0 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.829 0.347 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -91.07 152.44 20.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.401 ' CE2' ' O ' ' D' ' 326' ' ' GLU . 31.8 m-85 -141.4 126.33 18.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 7.1 m -98.54 152.77 19.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 18.7 tp -151.47 106.18 3.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.19 83.6 3.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.558 HG22 ' H ' ' D' ' 334' ' ' GLY . 3.8 mt -78.84 127.13 39.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 18.0 ptt85 -98.4 32.85 2.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.558 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -140.46 111.12 0.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.413 ' HG3' ' CZ ' ' C' ' 328' ' ' PHE . 3.8 ttp180 -62.44 -31.05 71.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -60.38 2.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.571 ' HB3' HD13 ' C' ' 348' ' ' LEU . 5.7 ptp85 -56.34 -40.47 74.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.844 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.698 ' CE1' HD13 ' C' ' 330' ' ' LEU . 3.8 t80 -63.87 -39.37 94.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.243 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -57.65 -41.21 81.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.767 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.5 ttp -62.17 -54.39 41.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.418 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.456 ' CD2' ' CD2' ' C' ' 341' ' ' PHE . 2.8 m-85 -60.95 -36.41 79.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.807 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -37.34 86.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.221 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -79.01 -30.22 44.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.324 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.841 HD22 HD11 ' A' ' 344' ' ' LEU . 29.0 mt -78.43 -31.85 48.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.66 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -76.19 -35.31 59.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.71 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -75.68 -37.06 59.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.574 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.47 ' HB2' ' HD3' ' A' ' 351' ' ' LYS . . . -73.55 -33.3 64.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.611 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.878 HD13 ' HD2' ' C' ' 337' ' ' ARG . 0.6 OUTLIER -75.74 -41.53 53.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.344 179.572 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.55 -25.81 65.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.241 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.544 HD22 ' HG3' ' A' ' 351' ' ' LYS . 1.3 tp -66.03 -41.02 91.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.69 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -67.05 -42.93 83.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -68.15 -31.5 71.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.09 -33.46 70.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -87.79 -31.6 19.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -90.38 -170.51 2.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.552 -179.944 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 2.3 mt-10 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.775 0.321 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -105.79 153.07 22.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 326' ' ' GLU . 17.6 m-85 -151.66 92.09 1.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 3.1 m -62.14 130.92 47.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.475 HD21 ' ND2' ' B' ' 345' ' ' ASN . 33.1 tp -133.0 113.21 12.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.74 106.06 18.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.539 HG21 ' HB3' ' A' ' 337' ' ' ARG . 3.8 mp -97.32 119.89 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.51 -32.09 71.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -75.55 131.17 11.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.522 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -72.08 -40.07 68.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -70.78 -41.27 71.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.539 ' HB3' HG21 ' A' ' 332' ' ' ILE . 0.0 OUTLIER -58.76 -47.08 85.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.699 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.821 ' CE2' HD13 ' B' ' 330' ' ' LEU . 11.3 t80 -59.22 -46.98 87.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.503 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -54.73 -34.22 62.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.642 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.6 mtp -66.58 -58.61 4.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.308 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.481 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 3.5 m-85 -60.99 -28.99 69.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -69.63 -36.69 76.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.934 0.397 . . . . 0.0 110.23 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -79.92 -30.88 40.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.299 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.772 ' O ' HD23 ' A' ' 348' ' ' LEU . 40.4 mt -76.98 -29.21 55.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.64 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -76.81 -40.96 46.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.689 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.638 ' O ' HD23 ' A' ' 350' ' ' LEU . 16.2 tt0 -73.37 -30.32 63.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.752 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.417 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . . . -77.28 -32.3 55.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.772 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.7 mm? -75.82 -31.39 59.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.784 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.63 -33.31 62.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.638 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.9 mm? -75.44 -40.26 57.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.806 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.519 ' HE3' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -74.09 -28.68 61.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 179.832 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.9 -30.77 56.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.38 -30.2 64.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.074 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -68.97 -34.8 75.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -107.75 -67.45 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.088 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.543 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.84 0.352 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 60.29 97.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.43 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 10.7 m-85 -107.34 102.43 11.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.63 144.84 50.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.857 HD23 HD11 ' B' ' 332' ' ' ILE . 12.7 tp -144.84 98.82 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -69.33 88.53 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.857 HD11 HD23 ' B' ' 330' ' ' LEU . 27.7 mm -73.82 141.35 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.084 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -118.54 39.62 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.43 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -151.38 141.6 8.75 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -73.79 -60.37 2.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.751 0.31 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -60.75 -36.01 77.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.484 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -60.97 -54.16 48.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.583 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -61.14 -43.99 98.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.082 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -57.24 -32.22 66.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.358 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.594 ' HE1' HD13 ' A' ' 344' ' ' LEU . 4.5 tmm? -67.38 -60.76 2.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.177 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.484 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 5.2 m-85 -58.77 -27.0 64.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.7 179.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -66.39 -39.68 89.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.205 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -74.78 -33.05 62.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.963 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.993 HD11 HD21 ' C' ' 344' ' ' LEU . 3.8 mm? -72.96 -42.59 63.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.236 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.475 ' ND2' HD21 ' A' ' 330' ' ' LEU . 21.2 m-20 -66.33 -38.85 88.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.713 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -77.15 -30.38 54.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.696 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.87 -29.77 40.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.981 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 348' ' ' LEU . 38.3 mt -79.62 -30.45 41.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.84 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.14 -30.36 55.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.806 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.465 HD22 ' OE1' ' C' ' 354' ' ' GLN . 9.5 mt -73.23 -31.15 63.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.818 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -68.61 -31.46 70.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.82 -31.62 72.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.7 -34.06 71.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -81.02 -44.54 17.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -107.5 77.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.482 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 22.0 pm0 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.801 0.334 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.411 ' CE2' ' HG2' ' D' ' 333' ' ' ARG . 95.7 m-85 -154.84 152.21 29.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -154.55 132.5 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.538 HG23 ' HG2' ' D' ' 331' ' ' GLN . 0.6 OUTLIER -100.77 114.14 27.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.596 HD13 ' CE2' ' D' ' 338' ' ' PHE . 13.7 tp -105.25 97.25 7.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.663 ' HG3' HG23 ' D' ' 329' ' ' THR . 16.9 mp0 -77.34 115.74 17.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.544 HD11 ' CD2' ' C' ' 330' ' ' LEU . 28.2 mm -114.6 113.19 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.198 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -30.69 71.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -80.93 130.81 9.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -40.66 68.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -70.91 -41.9 70.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.505 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 4.8 tpp180 -57.73 -48.6 79.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.794 ' CE1' HD13 ' D' ' 330' ' ' LEU . 10.4 t80 -58.79 -46.67 87.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.397 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -54.67 -32.55 59.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.475 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.488 ' O ' HD12 ' C' ' 344' ' ' LEU . 3.5 tpp -67.14 -62.19 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.973 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.505 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 6.7 m-85 -60.34 -28.0 67.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.965 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -34.75 70.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.968 0.413 . . . . 0.0 110.155 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -80.51 -29.62 37.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.188 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.993 HD21 HD11 ' B' ' 344' ' ' LEU . 1.6 mp -75.74 -32.64 60.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.598 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -75.32 -42.15 55.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.662 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -75.51 -30.18 59.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.654 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.78 -29.97 40.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.756 HD23 ' HD3' ' C' ' 351' ' ' LYS . 8.0 mt -78.49 -29.86 46.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.76 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -75.32 -29.83 60.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 10.1 mt -74.17 -40.8 62.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.756 ' HD3' HD23 ' C' ' 348' ' ' LEU . 2.9 ptmm? -68.82 -30.61 69.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -69.4 -31.79 70.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.803 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.08 -30.91 70.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.465 ' OE1' HD22 ' B' ' 350' ' ' LEU . 3.7 mt-30 -69.63 -47.24 64.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.42 87.23 2.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.371 -1.239 . . . . 0.0 112.51 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.813 0.339 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 60.55 110.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -130.94 109.76 10.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.663 HG23 ' HG3' ' C' ' 331' ' ' GLN . 0.2 OUTLIER -74.26 142.41 45.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.83 HD23 HD11 ' D' ' 332' ' ' ILE . 13.5 tp -128.47 92.72 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.538 ' HG2' HG23 ' C' ' 329' ' ' THR . 24.0 mt-30 -72.69 84.05 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.83 HD11 HD23 ' D' ' 330' ' ' LEU . 4.4 mt -88.42 142.1 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.411 ' HG2' ' CE2' ' C' ' 327' ' ' TYR . 43.4 mtp180 -98.85 35.64 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -137.25 115.35 1.23 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.29 -50.83 72.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.828 0.347 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -65.8 -35.02 79.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.519 ' HD2' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -60.29 -52.78 63.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.728 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.596 ' CE2' HD13 ' C' ' 330' ' ' LEU . 8.7 t80 -58.5 -45.27 89.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.34 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -55.27 -33.76 63.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.492 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.6 ttp -66.5 -60.73 2.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.158 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.452 ' CE1' ' HG3' ' D' ' 337' ' ' ARG . 6.2 m-85 -59.59 -27.99 66.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.771 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -67.75 -34.08 76.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.917 0.389 . . . . 0.0 110.169 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -80.21 -30.4 38.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.352 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.656 ' O ' HD12 ' D' ' 348' ' ' LEU . 1.1 tp -76.26 -30.78 57.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.664 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -76.13 -41.68 49.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.652 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -74.31 -31.54 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.708 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.69 -30.67 46.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.656 HD12 ' O ' ' D' ' 344' ' ' LEU . 5.7 mt -77.12 -29.2 54.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.76 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -73.66 -30.81 63.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.755 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 mt -74.17 -45.21 50.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.764 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 347' ' ' ALA . 0.0 OUTLIER -70.52 -28.82 65.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.767 179.818 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -74.58 -30.49 61.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.807 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.48 -31.05 69.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -84.63 -44.14 13.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -63.54 162.3 13.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.508 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.794 0.33 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -82.63 152.96 25.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -139.94 94.55 2.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.75 124.92 25.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 16.0 tp -115.24 107.66 15.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -76.33 96.7 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.626 HG21 ' HG2' ' A' ' 337' ' ' ARG . 4.6 mt -100.63 137.43 28.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -97.42 38.65 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -137.27 117.84 1.6 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.43 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -48.51 81.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.961 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -69.98 -40.41 75.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.714 ' HD3' HD13 ' B' ' 348' ' ' LEU . 2.6 ttp-105 -59.97 -52.71 64.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.635 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.408 ' CD2' ' HB2' ' B' ' 330' ' ' LEU . 7.2 t80 -62.67 -43.73 98.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.973 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -57.47 -32.02 66.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.306 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.52 ' O ' HD12 ' A' ' 344' ' ' LEU . 10.7 ttm -66.79 -60.67 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.177 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.459 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 5.0 m-85 -60.23 -28.7 68.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.743 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -35.69 78.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.981 0.42 . . . . 0.0 110.175 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -79.87 -31.51 40.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.195 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.787 HD21 HD21 ' D' ' 344' ' ' LEU . 2.1 mp -75.43 -30.84 60.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.497 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -74.78 -42.64 57.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.727 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.679 ' O ' HD23 ' A' ' 350' ' ' LEU . 3.6 tp10 -73.33 -31.91 64.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.696 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -76.84 -30.28 56.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.963 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 344' ' ' LEU . 15.1 mt -75.6 -33.0 60.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -72.24 -32.89 67.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.7 mm? -69.94 -36.84 75.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -64.8 -33.55 76.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -32.4 73.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.13 -31.14 55.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -78.27 -31.47 49.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -76.46 116.16 16.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.487 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.824 0.345 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 62.55 118.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -131.23 102.07 5.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 3.0 m -64.27 119.5 10.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.449 HD23 HD11 ' B' ' 332' ' ' ILE . 24.9 tp -107.29 98.78 8.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -69.94 84.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.449 HD11 HD23 ' B' ' 330' ' ' LEU . 4.5 mt -81.02 153.19 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.66 99.19 5.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 140.66 141.46 4.01 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.6 -36.87 68.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.33 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -77.03 -43.28 35.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.444 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 3.8 ttp180 -59.45 -52.49 65.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -62.75 -42.65 99.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.968 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -57.91 -32.36 67.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.368 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttm -67.33 -60.64 2.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.172 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.445 ' CD1' ' CD2' ' A' ' 341' ' ' PHE . 4.6 m-85 -59.97 -26.92 66.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.758 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.92 -36.93 81.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.173 179.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -76.48 -34.91 58.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.336 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.735 HD22 HD22 ' C' ' 344' ' ' LEU . 26.8 mt -72.38 -29.78 64.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.488 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -72.38 -44.55 62.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.722 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -70.26 -31.21 68.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.768 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.83 -34.15 60.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.714 HD13 ' HD3' ' A' ' 337' ' ' ARG . 1.5 mt -72.84 -30.52 64.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -70.93 -29.33 65.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 mt -69.97 -44.43 69.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -62.54 -29.52 70.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -66.98 -39.93 87.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.65 -31.4 63.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -79.82 -31.5 40.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.78 96.38 10.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.518 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 326' ' ' GLU . . . . . 0.415 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 3.6 mt-10 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.814 0.34 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -103.87 147.48 27.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.415 ' CZ ' ' HB3' ' C' ' 326' ' ' GLU . 20.7 m-85 -144.35 123.39 12.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.404 HG22 ' HG3' ' D' ' 331' ' ' GLN . 0.2 OUTLIER -94.35 94.35 8.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 21.1 tp -95.21 119.24 33.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -101.12 126.53 47.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -131.43 153.67 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -98.21 31.11 2.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -123.33 105.13 0.89 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.481 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -58.8 -43.6 90.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.763 0.316 . . . . 0.0 110.982 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -72.28 -38.34 68.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.532 ' CG ' HD13 ' D' ' 348' ' ' LEU . 5.7 ttm180 -60.57 -48.64 80.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.661 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.777 ' CE2' HD13 ' D' ' 330' ' ' LEU . 10.7 t80 -59.23 -46.35 88.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.448 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -55.31 -33.7 63.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.672 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.8 ttp -66.97 -58.51 4.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.319 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.419 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.9 m-85 -60.31 -29.05 68.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.685 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -66.95 -35.33 79.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.171 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -78.61 -32.43 47.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.372 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.735 HD22 HD22 ' B' ' 344' ' ' LEU . 20.4 mt -74.54 -30.03 61.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.596 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -74.33 -43.55 56.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.647 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.73 -31.8 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.693 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.12 -26.85 48.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.745 HD13 ' HD3' ' C' ' 351' ' ' LYS . 1.4 mm? -78.61 -28.03 45.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -76.98 -34.61 57.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.201 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.857 HD12 ' N ' ' C' ' 351' ' ' LYS . 4.3 pp -76.26 -32.56 58.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.126 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.857 ' N ' HD12 ' C' ' 350' ' ' LEU . 10.9 ptmt -78.1 -28.88 48.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.792 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -75.58 -30.07 59.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.05 -31.3 67.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -75.95 -45.98 32.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -91.97 -175.89 4.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.089 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.468 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.79 0.329 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 61.15 112.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -120.11 115.26 23.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 23.3 m -68.78 138.27 54.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.777 HD13 ' CE2' ' C' ' 338' ' ' PHE . 41.4 tp -130.71 108.77 10.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.404 ' HG3' HG22 ' C' ' 329' ' ' THR . 21.2 mt-30 -87.36 111.42 21.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.545 HD11 ' CD2' ' D' ' 330' ' ' LEU . 23.3 mm -104.01 132.43 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.135 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -100.89 35.67 2.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.436 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -152.65 135.36 4.89 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.473 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -76.21 -44.94 35.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.336 . . . . 0.0 111.011 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -63.76 -55.32 24.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.412 ' HG3' HG21 ' D' ' 332' ' ' ILE . 15.8 ptp180 -55.76 -46.64 77.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.777 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -59.55 -40.03 85.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.367 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.94 -41.22 77.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.741 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.569 ' O ' HD12 ' D' ' 344' ' ' LEU . 2.2 mpp? -62.57 -54.91 32.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.396 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.451 ' HE1' HD13 ' C' ' 344' ' ' LEU . 3.4 m-85 -58.92 -33.73 70.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.777 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -62.95 -38.68 92.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.216 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -77.8 -31.19 51.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.213 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.787 HD21 HD21 ' A' ' 344' ' ' LEU . 1.2 mp -74.2 -31.52 62.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.51 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -73.16 -43.87 60.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.76 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -72.94 -30.04 63.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.804 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -79.59 -30.7 41.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.734 HD12 ' O ' ' D' ' 344' ' ' LEU . 1.2 mt -79.28 -25.93 42.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -81.34 -34.15 32.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.711 HD12 ' N ' ' D' ' 351' ' ' LYS . 4.5 pp -79.41 -29.06 41.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.942 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.711 ' N ' HD12 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -81.21 -28.58 34.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.766 179.767 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -78.25 -30.34 48.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.52 -30.92 61.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.038 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -72.03 -35.76 69.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.66 140.35 38.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.36 -1.245 . . . . 0.0 112.485 -180.0 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.843 0.354 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -141.53 152.56 44.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -148.65 92.5 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 3.9 m -71.24 152.85 42.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.787 HD23 HD11 ' A' ' 332' ' ' ILE . 13.5 tp -150.57 101.44 2.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -77.23 88.22 3.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.787 HD11 HD23 ' A' ' 330' ' ' LEU . 4.9 mt -92.62 130.68 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.03 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -97.79 74.88 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.7 122.99 0.87 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.521 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -69.19 -31.54 70.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -75.99 -52.17 10.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.768 ' CG ' HD13 ' B' ' 348' ' ' LEU . 4.8 mtm180 -56.43 -43.47 79.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.65 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -61.56 -46.14 91.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.394 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -55.22 -34.66 64.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.677 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.4 ttm -66.55 -58.17 5.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.398 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.427 ' CD2' ' CD2' ' B' ' 341' ' ' PHE . 2.5 m-85 -62.74 -29.43 70.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.723 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -70.92 -36.77 72.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.213 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -79.01 -31.3 44.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.319 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.924 HD11 HD11 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -76.72 -32.08 57.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.516 179.587 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -74.27 -38.61 63.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.799 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -75.48 -32.32 60.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.698 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -78.28 -30.58 48.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.958 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.843 HD13 ' HD3' ' B' ' 337' ' ' ARG . 4.5 mt -77.76 -29.99 51.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -75.69 -30.82 59.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.5 mt -72.38 -32.31 66.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -67.83 -35.31 78.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -64.85 -40.34 95.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.49 -31.49 71.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.85 -33.07 74.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -82.52 156.98 23.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.478 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.8 0.333 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 60.33 96.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -104.03 106.2 16.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.4 m -74.97 107.83 7.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.6 HD23 HD11 ' B' ' 332' ' ' ILE . 38.8 tp -102.69 119.04 38.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -99.35 103.59 15.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.6 HD11 HD23 ' B' ' 330' ' ' LEU . 3.9 mp -104.62 145.53 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.095 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.88 38.1 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.24 135.81 8.31 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -73.49 -64.37 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -59.54 -35.67 74.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.843 ' HD3' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -60.34 -52.69 64.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.716 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.668 ' CE1' HD13 ' A' ' 330' ' ' LEU . 8.5 t80 -59.25 -45.03 92.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.232 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -55.87 -32.55 63.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.432 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.6 ttp -67.49 -61.52 1.86 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.088 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.476 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 5.0 m-85 -60.24 -26.59 66.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.76 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.43 -36.17 76.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.205 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.01 -31.79 44.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.339 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.947 HD21 HD21 ' C' ' 344' ' ' LEU . 7.3 mt -76.46 -29.89 57.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.602 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.66 ' OD1' HG23 ' A' ' 332' ' ' ILE . 17.6 t30 -75.74 -39.87 56.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.744 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -73.97 -33.7 63.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.725 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.08 -31.63 56.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.768 HD13 ' CG ' ' A' ' 337' ' ' ARG . 4.4 mt -75.61 -29.69 59.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.697 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -71.88 -30.28 65.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.791 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 14.0 mt -66.86 -37.2 84.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -64.36 -31.89 73.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -73.67 -32.54 64.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.98 -33.03 67.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -71.06 -38.02 72.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -108.38 -176.67 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.491 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.811 0.338 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -98.03 153.27 18.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.428 ' HB3' ' CD2' ' D' ' 338' ' ' PHE . 20.5 m-85 -142.55 112.57 7.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.55 125.05 48.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.507 ' O ' HD12 ' C' ' 332' ' ' ILE . 5.2 tp -123.08 119.78 31.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -84.3 96.75 9.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.507 HD12 ' O ' ' C' ' 330' ' ' LEU . 3.6 mp -93.52 113.29 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -30.19 66.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -79.52 123.2 6.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.5 ptp85 -70.42 -31.36 68.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.955 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -68.89 -55.35 11.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.4 ttm105 -55.92 -38.38 70.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.695 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.434 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 11.7 t80 -63.26 -47.17 83.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.395 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -54.2 -35.56 62.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.634 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.33 -58.59 5.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.275 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.431 ' CD2' ' CD2' ' D' ' 341' ' ' PHE . 3.4 m-85 -61.27 -30.41 70.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.832 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 23.8 ttp85 -69.9 -35.99 75.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.989 0.423 . . . . 0.0 110.221 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -79.93 -29.88 39.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.324 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.947 HD21 HD21 ' B' ' 344' ' ' LEU . 0.1 OUTLIER -77.53 -30.27 52.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.63 179.703 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -77.28 -39.06 49.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.725 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -30.49 61.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.792 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.77 -32.67 52.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.006 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.57 HD23 ' HD3' ' C' ' 351' ' ' LYS . 51.1 mt -75.69 -31.27 59.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.732 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -72.68 -29.63 63.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.804 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -70.14 -40.19 74.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.57 ' HD3' HD23 ' C' ' 348' ' ' LEU . 1.5 ptmm? -71.6 -34.92 70.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.93 -30.65 62.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.84 -34.82 62.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -83.01 -31.62 27.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -93.33 77.09 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.472 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.818 0.342 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 61.69 152.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.434 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 35.6 m-85 -154.87 94.11 1.62 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 6.3 m -61.13 114.85 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.859 HD23 HD11 ' D' ' 332' ' ' ILE . 8.9 tp -107.44 119.21 38.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -104.11 125.18 50.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.859 HD11 HD23 ' D' ' 330' ' ' LEU . 3.8 mp -128.5 136.48 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -99.57 34.21 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.425 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -133.01 142.08 13.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.535 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -75.02 -64.3 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -58.81 -35.16 72.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.727 ' HG2' HG21 ' D' ' 332' ' ' ILE . 2.2 ttp-105 -60.88 -54.03 50.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.6 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.428 ' CD2' ' HB3' ' C' ' 328' ' ' PHE . 8.0 t80 -60.79 -44.86 96.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.035 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.68 -30.52 63.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.641 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -59.08 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.162 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.464 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.0 m-85 -61.09 -29.86 70.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.091 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -31.97 69.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.924 0.392 . . . . 0.0 110.186 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -80.69 -33.6 35.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.215 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.924 HD11 HD11 ' A' ' 344' ' ' LEU . 0.1 OUTLIER -71.95 -32.23 67.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.348 179.433 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.13 -48.1 46.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.477 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.24 -31.16 69.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.81 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -75.75 -31.37 59.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.011 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.79 HD23 ' O ' ' D' ' 344' ' ' LEU . 2.8 mm? -72.78 -33.98 66.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.694 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.25 -31.44 71.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -69.59 -32.82 71.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -64.72 -31.84 73.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -62.0 -31.95 72.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.06 -31.08 69.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.072 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -67.75 -42.59 81.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.77 174.56 7.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.517 -179.942 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.836 0.351 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 60.46 106.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.427 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 21.4 m-85 -115.53 116.8 28.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.489 HG23 ' HG3' ' B' ' 331' ' ' GLN . 1.8 m -78.83 127.09 31.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.633 HD23 HD11 ' A' ' 332' ' ' ILE . 18.2 tp -118.91 91.36 3.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.02 97.33 5.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.633 HD11 HD23 ' A' ' 330' ' ' LEU . 4.6 mt -106.46 137.2 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.62 30.97 4.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.601 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -121.42 127.99 7.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.466 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.8 ttp85 -66.59 -65.19 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.68 -36.37 76.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.496 ' HG3' ' CE2' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -59.84 -51.79 68.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.735 179.805 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -59.79 -46.45 89.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.22 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.74 -31.33 62.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.359 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -67.23 -61.52 1.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.101 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.496 ' CE2' ' HG3' ' A' ' 337' ' ' ARG . 7.0 m-85 -58.63 -28.04 65.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -35.31 78.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.961 0.41 . . . . 0.0 110.232 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -80.1 -29.94 39.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.315 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.715 HD21 ' HG ' ' D' ' 344' ' ' LEU . 0.3 OUTLIER -77.17 -30.9 55.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.597 179.684 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -76.76 -39.58 51.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.791 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -75.11 -30.34 60.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.743 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.7 -32.26 46.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.012 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.779 HD23 ' HD3' ' A' ' 351' ' ' LYS . 3.0 mt -77.12 -29.54 54.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.746 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -74.63 -29.93 61.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.6 mt -72.3 -40.49 67.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.779 ' HD3' HD23 ' A' ' 348' ' ' LEU . 0.4 OUTLIER -70.46 -31.36 68.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -72.4 -31.65 65.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.11 -31.55 66.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -69.0 -33.41 73.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -100.21 78.22 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.491 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.84 0.352 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 60.32 96.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.412 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 5.7 m-85 -107.71 100.44 9.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.8 m -82.04 139.84 34.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' B' ' 330' ' ' LEU . 13.8 tp -137.59 119.04 14.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.489 ' HG3' HG23 ' A' ' 329' ' ' THR . 31.0 mt-30 -102.69 90.09 3.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.44 ' H ' HD12 ' B' ' 332' ' ' ILE . 3.8 mp -90.09 142.34 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -98.48 32.84 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -120.51 116.07 3.11 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.469 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 23.1 ttp85 -60.25 -52.64 64.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -69.59 -42.53 74.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.594 ' CG ' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -57.66 -45.93 84.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.775 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 12.7 t80 -59.42 -48.07 83.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.496 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -54.73 -33.37 61.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.694 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.0 mtm -67.05 -57.96 5.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.391 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.417 ' CD2' ' CD1' ' A' ' 341' ' ' PHE . 2.5 m-85 -62.16 -29.8 70.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.74 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -70.38 -36.85 74.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.236 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -78.85 -31.15 45.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.332 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.794 ' O ' HD23 ' B' ' 348' ' ' LEU . 0.7 OUTLIER -76.12 -30.56 58.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.575 179.607 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -75.23 -40.75 58.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.768 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -71.72 -31.4 66.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.517 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -75.29 -34.9 61.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.015 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.794 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.7 mm? -72.39 -32.12 66.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.738 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.95 -30.1 67.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -42.9 79.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.542 ' CE ' ' HB2' ' C' ' 347' ' ' ALA . 0.1 OUTLIER -60.17 -31.15 69.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -61.98 -36.93 82.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.0 -31.34 72.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.094 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -85.45 -49.75 7.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -99.44 122.33 42.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.351 -1.25 . . . . 0.0 112.503 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.815 0.341 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.411 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 8.0 m-85 63.21 139.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -153.06 114.32 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.57 143.02 50.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.468 HD21 HD11 ' C' ' 332' ' ' ILE . 15.9 tp -140.95 102.06 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.711 ' HG3' HG23 ' D' ' 329' ' ' THR . 6.6 mt-30 -102.69 95.98 6.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.468 HD11 HD21 ' C' ' 330' ' ' LEU . 23.5 mt -106.64 152.96 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -105.21 36.32 2.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -125.11 112.39 1.71 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.437 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -64.19 -42.4 96.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -73.0 -46.58 51.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -57.2 -43.14 82.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.703 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.595 ' CE1' HD13 ' D' ' 330' ' ' LEU . 13.0 t80 -61.1 -48.86 79.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.419 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -54.27 -33.24 58.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.647 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.2 ttm -66.77 -58.02 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.346 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.432 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 3.4 m-85 -60.13 -30.56 69.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.693 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.38 -38.26 87.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.191 179.403 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -78.14 -32.16 50.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.267 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.688 HD22 HD11 ' B' ' 344' ' ' LEU . 61.5 mt -74.84 -29.78 61.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.458 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -73.82 -43.76 57.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.58 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.565 ' O ' HD23 ' C' ' 350' ' ' LEU . 4.4 tt0 -69.45 -34.64 74.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.709 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.542 ' HB2' ' CE ' ' B' ' 351' ' ' LYS . . . -71.09 -33.43 70.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.519 HD23 ' O ' ' C' ' 344' ' ' LEU . 1.7 mm? -68.9 -39.19 79.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.669 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -61.98 -31.79 72.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.773 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.565 HD23 ' O ' ' C' ' 346' ' ' GLU . 4.0 mm? -68.86 -52.64 27.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.732 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -29.68 69.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -76.03 -30.85 58.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.31 -31.06 65.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -76.75 -40.88 46.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.26 -179.84 2.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.318 -1.268 . . . . 0.0 112.494 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 326' ' ' GLU . . . . . 0.425 ' HG2' ' CZ ' ' D' ' 328' ' ' PHE . 42.1 tt0 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.821 0.343 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -121.32 151.75 39.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.425 ' CZ ' ' HG2' ' D' ' 326' ' ' GLU . 25.1 m-85 -132.15 108.81 9.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.711 HG23 ' HG3' ' C' ' 331' ' ' GLN . 0.2 OUTLIER -77.49 126.38 30.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.77 HD23 HD11 ' D' ' 332' ' ' ILE . 14.6 tp -131.96 112.34 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -87.98 93.65 9.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.77 HD11 HD23 ' D' ' 330' ' ' LEU . 27.4 mm -79.31 134.09 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.411 ' HG3' ' CE2' ' C' ' 327' ' ' TYR . 9.6 ttp180 -98.67 30.8 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.539 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -132.42 127.22 4.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.431 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.9 ptt-85 -70.28 -47.69 60.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.788 0.328 . . . . 0.0 110.928 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -39.39 61.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.0 mtm105 -62.0 -44.71 96.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.9 0.381 . . . . 0.0 110.548 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.422 ' CE2' HD13 ' C' ' 330' ' ' LEU . 12.4 t80 -61.31 -48.07 83.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.31 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -54.94 -32.48 61.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.564 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.526 ' O ' HD12 ' D' ' 344' ' ' LEU . 0.3 OUTLIER -67.13 -59.03 3.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.252 179.474 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.432 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 3.6 m-85 -60.21 -29.68 68.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.742 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -67.47 -37.82 83.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.138 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -78.66 -32.04 47.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.203 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.715 ' HG ' HD21 ' A' ' 344' ' ' LEU . 1.5 mp -75.31 -30.47 60.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.474 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -73.68 -42.59 61.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.671 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.716 ' O ' HD23 ' D' ' 350' ' ' LEU . 5.0 mm-40 -72.34 -32.4 66.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.66 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.12 -30.75 62.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.913 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.446 HD23 ' O ' ' D' ' 344' ' ' LEU . 1.4 mm? -72.74 -39.07 67.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.684 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -68.95 -34.54 75.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.716 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.7 mm? -67.04 -31.54 72.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.84 -32.38 73.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.803 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.69 -31.71 70.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.5 -31.68 71.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -117.2 30.63 7.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.26 82.42 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.467 -179.929 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.758 0.313 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.408 ' CE1' ' HB3' ' B' ' 333' ' ' ARG . 0.2 OUTLIER -140.23 146.09 38.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -144.62 92.95 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.481 HG23 ' HG3' ' B' ' 331' ' ' GLN . 0.2 OUTLIER -80.23 128.7 33.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.544 HD22 ' CD2' ' B' ' 338' ' ' PHE . 0.6 OUTLIER -132.37 115.77 16.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.857 ' HG3' HG23 ' B' ' 329' ' ' THR . 2.9 mt-30 -85.91 99.51 11.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -89.59 147.0 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.06 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.415 ' HG2' ' CD1' ' B' ' 327' ' ' TYR . 18.0 mtm180 -103.51 35.88 2.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.44 138.3 10.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.513 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 7.9 ttt-85 -75.48 -64.49 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -59.62 -36.61 76.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.567 ' HD3' HD13 ' B' ' 348' ' ' LEU . 22.8 ttp180 -60.39 -53.37 58.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.589 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.605 ' CE2' HD13 ' B' ' 330' ' ' LEU . 8.1 t80 -61.47 -45.25 95.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.047 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.0 -31.39 65.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.439 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.59 -59.43 3.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.303 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.483 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 2.1 m-85 -61.75 -28.06 69.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.682 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 15.6 ttp85 -70.41 -38.52 74.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.345 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -78.33 -32.13 49.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.379 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.621 ' CD2' HD22 ' D' ' 344' ' ' LEU . 7.9 mt -77.61 -28.69 51.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.567 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -76.6 -37.76 55.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.707 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.748 ' O ' HD23 ' A' ' 350' ' ' LEU . 2.4 tp10 -74.0 -32.79 63.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.792 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.459 ' HB2' ' HD2' ' D' ' 351' ' ' LYS . . . -75.55 -31.66 60.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.026 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.718 HD13 ' HG3' ' B' ' 337' ' ' ARG . 11.6 mt -75.1 -33.78 61.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -71.91 -31.48 66.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.748 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.7 mm? -70.15 -37.46 75.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.602 ' HE3' ' HB2' ' D' ' 347' ' ' ALA . 2.6 ttmt -64.19 -31.56 72.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.06 -31.44 72.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.42 -37.03 68.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -71.66 -35.57 70.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -82.87 -50.5 8.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.504 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.873 0.368 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.415 ' CD1' ' HG2' ' A' ' 333' ' ' ARG . 0.3 OUTLIER -153.71 135.36 14.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -150.03 127.19 11.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.857 HG23 ' HG3' ' A' ' 331' ' ' GLN . 0.2 OUTLIER -97.61 112.89 24.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.605 HD13 ' CE2' ' A' ' 338' ' ' PHE . 15.4 tp -109.05 122.22 46.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.481 ' HG3' HG23 ' A' ' 329' ' ' THR . 43.7 mt-30 -94.44 111.58 23.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.544 HG12 HD21 ' A' ' 330' ' ' LEU . 24.4 mm -103.5 119.63 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.408 ' HB3' ' CE1' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -98.63 32.87 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.495 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -142.32 125.87 2.78 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -60.34 -49.14 78.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.337 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -69.82 -39.85 76.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.718 ' HG3' HD13 ' A' ' 348' ' ' LEU . 3.5 ttm180 -59.28 -51.62 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.69 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.544 ' CD2' HD22 ' A' ' 330' ' ' LEU . 8.7 t80 -59.83 -45.01 93.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.265 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -55.82 -33.55 64.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.483 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.7 ttm -66.02 -60.24 3.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.183 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.483 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 6.9 m-85 -58.16 -29.15 65.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -36.79 84.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.967 0.413 . . . . 0.0 110.114 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.65 -31.91 47.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.307 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.804 HD21 HD21 ' C' ' 344' ' ' LEU . 0.2 OUTLIER -74.69 -31.9 62.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.45 179.541 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -72.56 -43.16 63.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.633 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.502 ' O ' HD12 ' B' ' 350' ' ' LEU . 1.5 mp0 -70.57 -36.11 73.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.621 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.11 -30.84 65.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.567 HD13 ' HD3' ' A' ' 337' ' ' ARG . 10.1 mt -71.37 -37.42 71.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.705 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -64.62 -30.95 71.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.502 HD12 ' O ' ' B' ' 346' ' ' GLU . 1.2 mp -66.8 -46.86 73.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -59.32 -30.87 68.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.29 -31.56 58.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.29 -35.29 55.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.13 -30.85 30.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.85 172.72 8.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.519 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.791 0.329 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -156.02 128.47 7.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -129.01 128.74 44.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.28 101.01 11.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.439 HD13 ' CE1' ' D' ' 338' ' ' PHE . 12.2 tp -93.69 106.28 18.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -83.88 113.71 21.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.655 HG23 ' OD1' ' D' ' 345' ' ' ASN . 4.9 mt -116.61 145.38 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.417 ' HG3' ' CE1' ' D' ' 327' ' ' TYR . 1.8 ttm180 -98.16 35.62 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -138.52 120.61 1.99 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 13.2 ttt85 -68.02 -33.06 73.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.21 -48.67 27.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -55.89 -43.59 77.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.716 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.516 ' CD1' HD22 ' D' ' 330' ' ' LEU . 12.8 t80 -61.29 -49.16 78.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.378 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.46 -32.62 58.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.641 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.558 ' O ' HD12 ' C' ' 344' ' ' LEU . 1.0 OUTLIER -66.7 -58.07 5.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.316 179.527 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.453 ' HE2' HD13 ' C' ' 332' ' ' ILE . 2.8 m-85 -61.91 -31.61 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.716 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -36.15 75.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.152 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -80.09 -31.86 39.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.16 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.804 HD21 HD21 ' B' ' 344' ' ' LEU . 0.7 OUTLIER -76.03 -30.62 58.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.476 179.514 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -74.72 -41.93 59.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.645 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.453 ' O ' HD23 ' C' ' 350' ' ' LEU . 8.0 tt0 -71.45 -34.62 70.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.685 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.95 -30.73 65.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.834 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.417 HD22 HH21 ' D' ' 337' ' ' ARG . 0.5 OUTLIER -71.09 -41.06 71.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.686 179.84 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.35 -31.45 72.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.453 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.4 mm? -71.51 -33.98 69.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -66.7 -35.31 79.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -66.54 -31.85 72.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.24 -31.2 54.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.487 ' OE1' HD23 ' B' ' 350' ' ' LEU . 2.8 mt-30 -88.1 -35.38 17.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -109.23 140.9 42.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.494 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 326' ' ' GLU . . . . . 0.405 ' HB3' ' CE1' ' D' ' 328' ' ' PHE . 10.8 mt-10 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.831 0.348 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.417 ' CE1' ' HG3' ' C' ' 333' ' ' ARG . 8.4 m-85 -99.45 152.85 19.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.405 ' CE1' ' HB3' ' D' ' 326' ' ' GLU . 16.4 m-85 -147.86 152.64 37.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 66.5 m -139.25 134.43 32.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.895 HD12 HD11 ' D' ' 332' ' ' ILE . 0.6 OUTLIER -130.99 117.83 19.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.36 84.55 6.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.895 HD11 HD12 ' D' ' 330' ' ' LEU . 3.7 mp -77.47 141.6 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -97.72 38.13 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -146.14 125.33 2.24 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.455 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -74.58 -33.03 62.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 0.0 111.039 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -71.28 -62.72 1.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.417 HH21 HD22 ' C' ' 348' ' ' LEU . 2.0 ptp85 -52.87 -43.0 65.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.439 ' CE1' HD13 ' C' ' 330' ' ' LEU . 4.0 t80 -61.04 -39.79 91.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.299 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -56.65 -41.89 77.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.618 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.1 mtm -62.14 -55.89 24.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.412 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -59.33 -31.38 69.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.788 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -37.23 86.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.951 0.405 . . . . 0.0 110.267 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -77.75 -32.39 52.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.299 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.788 ' O ' HD23 ' D' ' 348' ' ' LEU . 82.8 mt -74.13 -29.48 61.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.595 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.655 ' OD1' HG23 ' C' ' 332' ' ' ILE . 51.8 t30 -74.53 -43.86 53.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.722 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -71.58 -31.93 67.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.806 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.602 ' HB2' ' HE3' ' A' ' 351' ' ' LYS . . . -75.89 -31.1 59.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.983 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.836 HD13 ' HD3' ' D' ' 351' ' ' LYS . 3.1 mm? -73.76 -34.09 64.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.733 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -68.63 -31.36 70.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.97 -47.22 53.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.836 ' HD3' HD13 ' D' ' 348' ' ' LEU . 0.1 OUTLIER -69.51 -29.43 67.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -75.98 -30.91 58.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.73 -36.3 65.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -84.67 -31.57 24.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -90.55 104.14 16.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.462 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.405 ' HG2' ' CE2' ' A' ' 328' ' ' PHE . 10.8 tt0 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.816 0.341 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.406 ' CE1' ' HB3' ' B' ' 333' ' ' ARG . 23.4 m-85 -80.11 146.75 31.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.405 ' CE2' ' HG2' ' A' ' 326' ' ' GLU . 41.2 m-85 -134.71 98.56 4.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.582 HG22 ' CG2' ' B' ' 329' ' ' THR . 0.2 OUTLIER -63.01 143.9 57.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.907 HD23 HD11 ' A' ' 332' ' ' ILE . 14.7 tp -144.31 100.72 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -77.96 83.89 4.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.907 HD11 HD23 ' A' ' 330' ' ' LEU . 4.8 mt -88.4 126.87 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 9.5 ttp85 -87.53 72.81 9.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -168.64 113.07 0.51 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.41 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 11.7 ptp180 -62.4 -41.24 98.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -75.76 -44.7 40.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.651 ' CG ' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -57.34 -48.61 78.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.685 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.462 ' CE1' HD13 ' B' ' 330' ' ' LEU . 10.8 t80 -60.45 -46.83 88.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.242 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.46 -32.86 63.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.548 ' O ' HD12 ' A' ' 344' ' ' LEU . 1.3 ttp -67.1 -59.52 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.189 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.581 ' HE1' HD23 ' B' ' 344' ' ' LEU . 3.3 m-85 -59.92 -29.15 68.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.799 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -41.02 79.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.995 0.426 . . . . 0.0 110.168 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -76.11 -31.54 58.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.217 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.706 ' CD2' HD21 ' D' ' 344' ' ' LEU . 0.9 OUTLIER -73.7 -31.58 63.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.497 179.527 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.441 ' ND2' HD21 ' B' ' 330' ' ' LEU . 14.7 m-20 -71.57 -44.04 65.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.802 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.07 -34.76 73.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.779 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.45 -36.7 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.701 HD13 ' HD2' ' B' ' 337' ' ' ARG . 10.8 mt -77.08 -27.14 54.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.64 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.92 -29.07 58.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.662 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.07 -37.6 78.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.774 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 7.0 mtpp -65.08 -31.33 72.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.91 -32.11 73.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.45 -34.26 73.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -84.87 -37.94 20.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . 60.6 111.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.376 -1.236 . . . . 0.0 112.52 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.816 0.341 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 60.56 98.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.41 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 6.1 m-85 -110.89 109.98 20.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.582 ' CG2' HG22 ' A' ' 329' ' ' THR . 1.7 m -74.68 132.43 41.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.462 HD13 ' CE1' ' A' ' 338' ' ' PHE . 6.2 tp -134.59 105.2 6.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -100.77 114.99 29.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.775 HG21 ' HB3' ' B' ' 337' ' ' ARG . 3.1 mp -101.1 149.38 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.406 ' HB3' ' CE1' ' A' ' 327' ' ' TYR . 5.7 ptp180 -98.8 31.15 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -143.46 120.53 1.52 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -32.04 70.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.35 -46.18 23.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.775 ' HB3' HG21 ' B' ' 332' ' ' ILE . 1.5 tpp180 -58.11 -50.15 74.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.665 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.704 ' CE2' HD13 ' A' ' 330' ' ' LEU . 7.4 t80 -60.48 -43.8 96.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.176 179.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -55.4 -34.75 64.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.604 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 24.1 ttm -65.7 -60.08 3.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.23 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.442 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 7.4 m-85 -58.75 -28.53 65.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -36.84 84.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.987 0.422 . . . . 0.0 110.056 179.225 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -78.3 -31.08 48.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.319 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.84 HD11 HD11 ' C' ' 344' ' ' LEU . 2.3 tp -75.71 -30.7 59.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.587 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -74.53 -41.45 60.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.69 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.484 ' O ' HD23 ' B' ' 350' ' ' LEU . 16.5 tt0 -72.15 -35.05 68.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.76 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.7 -31.87 59.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.651 HD13 ' CG ' ' A' ' 337' ' ' ARG . 4.2 mt -74.44 -29.27 61.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.752 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -70.41 -31.64 68.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.72 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.484 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.8 mm? -71.69 -49.45 39.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.711 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -28.94 66.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.739 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -75.63 -30.44 59.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.767 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.57 -30.94 67.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.059 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -68.95 -31.62 70.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -138.35 79.2 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.318 -1.268 . . . . 0.0 112.493 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 326' ' ' GLU . . . . . 0.402 ' O ' ' CE1' ' C' ' 328' ' ' PHE . 5.6 mp0 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.833 0.349 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.415 ' CE1' ' HG3' ' D' ' 333' ' ' ARG . 88.7 m-85 -91.64 152.93 20.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.402 ' CE1' ' O ' ' C' ' 326' ' ' GLU . 26.0 m-85 -140.35 104.39 4.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.42 124.31 27.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.863 HD23 HD11 ' C' ' 332' ' ' ILE . 11.7 tp -118.2 103.88 10.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.506 ' HG3' HG22 ' D' ' 329' ' ' THR . 8.8 mt-30 -86.91 83.99 7.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.863 HD11 HD23 ' C' ' 330' ' ' LEU . 4.6 mt -89.22 143.55 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.422 ' HG2' ' CD1' ' D' ' 327' ' ' TYR . 38.5 mtm180 -101.04 37.59 1.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -138.91 135.32 7.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.33 -43.88 39.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.28 -41.3 66.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.456 ' HG3' ' CZ ' ' C' ' 341' ' ' PHE . 8.1 ttp180 -59.64 -52.7 64.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.616 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -62.4 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.013 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -31.89 67.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.383 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.27 -60.24 2.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.208 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.456 ' CZ ' ' HG3' ' C' ' 337' ' ' ARG . 3.3 m-85 -62.42 -28.61 69.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -71.68 -34.78 69.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.956 0.408 . . . . 0.0 110.286 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -80.9 -31.38 35.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.245 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.84 HD11 HD11 ' B' ' 344' ' ' LEU . 0.2 OUTLIER -76.93 -29.39 55.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.543 179.554 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.407 ' OD1' HG23 ' D' ' 332' ' ' ILE . 0.5 OUTLIER -76.91 -41.31 44.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.7 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.84 -31.03 61.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.672 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.36 -30.79 48.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.967 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.486 HD13 ' HG3' ' D' ' 337' ' ' ARG . 6.8 mt -76.64 -31.41 57.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.74 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -72.99 -29.87 63.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -70.1 -37.63 75.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -62.79 -32.11 73.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -71.83 -32.18 67.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.86 -37.11 78.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -67.37 -36.04 80.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -106.54 81.52 1.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.499 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.801 0.334 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.422 ' CD1' ' HG2' ' C' ' 333' ' ' ARG . 20.7 m-85 -105.83 152.83 22.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -147.04 98.23 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.506 HG22 ' HG3' ' C' ' 331' ' ' GLN . 0.8 OUTLIER -71.39 139.37 49.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.447 HD23 HD11 ' D' ' 332' ' ' ILE . 28.7 tp -131.74 110.3 10.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -96.85 90.16 5.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.447 HD11 HD23 ' D' ' 330' ' ' LEU . 3.6 mp -91.26 140.54 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.415 ' HG3' ' CE1' ' C' ' 327' ' ' TYR . 0.0 OUTLIER -98.77 33.42 2.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.01 125.6 4.34 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -75.04 -34.52 61.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.349 . . . . 0.0 110.934 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -75.65 -53.64 8.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.486 ' HG3' HD13 ' C' ' 348' ' ' LEU . 1.2 ttm105 -55.74 -41.74 74.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.72 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -62.12 -47.08 86.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.382 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -54.4 -35.14 62.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.681 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.9 ttp -65.5 -58.32 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.313 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.413 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 4.9 m-85 -59.24 -30.9 68.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.809 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.33 -39.4 89.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.093 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -76.86 -29.39 55.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.062 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.706 HD21 ' CD2' ' A' ' 344' ' ' LEU . 0.1 OUTLIER -74.36 -39.35 62.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.535 179.473 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -69.5 -39.19 77.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.765 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.06 -30.61 62.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.05 -29.79 58.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.401 HD13 ' HD3' ' C' ' 337' ' ' ARG . 13.9 mt -75.06 -39.01 61.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.789 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.42 -27.24 65.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' D' ' 350' ' ' LEU . 0.2 OUTLIER -71.65 -41.1 69.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -30.17 68.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -70.71 -31.8 68.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.24 -32.31 73.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -62.96 -35.4 80.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.33 97.91 9.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.399 -1.223 . . . . 0.0 112.47 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.804 0.335 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -158.31 153.06 24.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -143.57 92.89 2.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 2.9 m -60.87 150.42 33.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.845 HD23 HD11 ' A' ' 332' ' ' ILE . 15.2 tp -144.18 107.98 4.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -89.79 83.94 6.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.845 HD11 HD23 ' A' ' 330' ' ' LEU . 3.8 mp -86.63 130.22 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -98.76 32.61 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.517 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -134.63 109.66 0.8 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.518 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -60.25 -31.65 70.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.328 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -75.99 -54.08 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.5 ttm105 -56.32 -38.1 70.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.715 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -64.16 -48.61 75.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.329 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -54.43 -32.97 58.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.612 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.478 ' O ' HD12 ' A' ' 344' ' ' LEU . 3.2 mtp -66.72 -58.7 4.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.285 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.417 ' HB3' ' CG ' ' B' ' 341' ' ' PHE . 3.2 m-85 -60.55 -30.14 69.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.796 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -68.64 -37.14 79.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.219 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -79.12 -30.97 44.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.214 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.884 ' CD2' HD21 ' D' ' 344' ' ' LEU . 1.6 mp -75.78 -32.27 59.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.46 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.442 ' ND2' HD12 ' B' ' 332' ' ' ILE . 31.5 t-20 -73.25 -41.58 63.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.626 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -36.79 68.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.625 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.7 -31.27 64.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.789 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.8 HD13 ' HD3' ' B' ' 337' ' ' ARG . 1.5 mt -70.68 -37.27 73.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.584 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.21 -26.43 47.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.516 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 350' ' ' LEU . 9.9 tp -78.34 -31.37 48.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.816 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -33.38 65.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.82 -31.56 70.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.46 -43.87 68.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -79.56 -35.01 40.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -63.59 178.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.356 -1.247 . . . . 0.0 112.495 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.831 0.348 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -118.08 119.89 36.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -102.32 103.63 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.17 152.81 32.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.473 ' CG ' HD11 ' B' ' 332' ' ' ILE . 13.7 tp -154.2 98.49 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -89.15 108.95 19.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.482 HG22 ' H ' ' B' ' 334' ' ' GLY . 28.0 mm -103.47 137.76 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -98.77 30.65 3.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.482 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -132.04 128.73 5.37 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.505 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -70.36 -47.74 59.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.53 -44.52 62.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.8 ' HD3' HD13 ' A' ' 348' ' ' LEU . 1.0 OUTLIER -58.71 -51.36 70.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.618 179.783 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.671 ' CE2' HD13 ' A' ' 330' ' ' LEU . 7.3 t80 -62.41 -43.76 98.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.0 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -57.31 -32.08 66.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.366 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 5.8 ttm -67.12 -60.97 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.159 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.457 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 5.4 m-85 -59.96 -27.28 66.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -68.82 -34.88 76.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.925 0.393 . . . . 0.0 110.218 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -79.29 -31.96 43.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.319 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.801 ' O ' HD23 ' B' ' 348' ' ' LEU . 0.5 OUTLIER -75.29 -32.0 60.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.484 179.578 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.616 ' OD1' HG23 ' A' ' 332' ' ' ILE . 3.6 t30 -73.58 -41.39 62.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.666 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.468 ' O ' HD12 ' B' ' 350' ' ' LEU . 36.8 mt-10 -72.27 -31.15 65.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.709 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.432 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -73.56 -31.12 63.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.945 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.801 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.5 mm? -72.57 -41.9 65.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.87 -30.97 70.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.468 HD12 ' O ' ' B' ' 346' ' ' GLU . 2.3 mt -69.62 -35.93 75.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -63.37 -32.93 74.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -66.97 -36.34 81.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.74 -35.74 78.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -68.61 -35.28 77.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -66.77 86.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.045 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.467 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.795 0.331 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 60.06 101.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -117.4 102.31 9.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.406 HG22 ' HG3' ' D' ' 331' ' ' GLN . 0.8 OUTLIER -68.82 134.79 50.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.573 ' O ' HD12 ' C' ' 332' ' ' ILE . 17.6 tp -130.99 109.54 10.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -86.31 100.46 12.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.573 HD12 ' O ' ' C' ' 330' ' ' LEU . 3.8 mp -102.57 141.7 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -98.87 34.67 2.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.69 123.53 3.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.61 -64.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -60.33 -38.39 83.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.82 ' HG2' HD22 ' D' ' 348' ' ' LEU . 3.0 tpt180 -59.23 -51.39 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.718 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.629 ' CE1' HD13 ' D' ' 330' ' ' LEU . 9.7 t80 -60.81 -46.55 90.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.131 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -55.85 -32.41 63.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.393 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 30.5 ttm -66.03 -60.18 3.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.199 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.598 ' HE2' HD13 ' D' ' 344' ' ' LEU . 5.1 m-85 -60.48 -31.26 70.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.799 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -35.03 77.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.981 0.42 . . . . 0.0 110.122 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -79.26 -30.7 43.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.134 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.798 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.8 OUTLIER -73.08 -32.19 64.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.494 179.586 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -73.76 -46.47 45.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.585 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.92 -29.24 65.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.606 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.432 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -75.29 -32.85 61.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.008 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.798 HD23 ' O ' ' C' ' 344' ' ' LEU . 2.9 mm? -72.09 -37.42 69.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.749 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.58 -30.25 70.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -37.68 88.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -60.01 -38.96 84.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.87 -40.58 97.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.83 -33.66 76.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.065 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -79.6 -46.72 16.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . 59.55 79.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.422 -1.21 . . . . 0.0 112.473 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.842 0.354 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -136.58 144.07 43.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -137.34 118.49 14.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 1.8 m -82.25 116.33 21.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.819 HD23 HD11 ' D' ' 332' ' ' ILE . 20.1 tp -106.03 112.34 25.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.406 ' HG3' HG22 ' C' ' 329' ' ' THR . 6.0 mt-30 -90.87 84.08 5.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.819 HD11 HD23 ' D' ' 330' ' ' LEU . 3.8 mp -86.92 119.82 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -85.58 76.49 10.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 177.19 140.24 3.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.459 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -76.3 -51.08 12.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -68.0 -39.23 83.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.451 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 3.9 tpp180 -60.36 -53.22 60.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.624 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -60.47 -42.88 97.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.167 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -56.93 -34.26 67.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.494 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.3 ttp -66.6 -59.95 3.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.219 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.451 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 3.6 m-85 -60.77 -27.85 68.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.676 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -67.5 -33.69 75.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.106 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.93 -35.28 59.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.394 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.884 HD21 ' CD2' ' A' ' 344' ' ' LEU . 7.1 mt -71.83 -36.59 70.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.495 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.447 ' OD1' HG23 ' C' ' 332' ' ' ILE . 54.6 t30 -67.24 -40.36 86.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.448 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -68.46 -45.91 71.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.582 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.42 -28.62 68.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.7 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.82 HD22 ' HG2' ' C' ' 337' ' ' ARG . 10.6 tp -68.73 -39.43 80.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.77 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -61.79 -33.79 74.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.38 -32.66 70.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.803 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.72 -32.26 73.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.33 -32.23 73.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.74 -30.91 46.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -84.57 -31.5 24.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.64 -54.2 9.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.352 -1.249 . . . . 0.0 112.49 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.759 0.314 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -131.9 152.52 51.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -147.42 91.27 1.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.588 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -70.97 138.15 49.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.733 HD23 HD11 ' A' ' 332' ' ' ILE . 17.9 tp -138.43 114.27 9.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -96.13 84.91 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.733 HD11 HD23 ' A' ' 330' ' ' LEU . 3.8 mp -82.53 136.85 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -98.42 35.04 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -134.25 122.43 2.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -65.78 -44.08 86.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -72.4 -42.77 64.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.776 ' HG3' HD13 ' B' ' 348' ' ' LEU . 6.4 ttm180 -57.65 -48.44 79.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.701 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.717 ' CE1' HD13 ' B' ' 330' ' ' LEU . 11.3 t80 -59.16 -46.77 87.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.436 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -55.27 -33.51 63.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.672 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.3 ttp -67.17 -58.33 5.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.368 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.473 ' CD2' ' CD1' ' B' ' 341' ' ' PHE . 2.8 m-85 -61.68 -28.69 69.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.759 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttt-85 -69.06 -34.58 75.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.261 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -79.78 -32.81 40.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.325 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.983 HD21 HD21 ' D' ' 344' ' ' LEU . 1.2 mt -75.31 -29.55 60.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.508 179.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -75.42 -42.44 53.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.709 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.492 ' O ' HD23 ' A' ' 350' ' ' LEU . 0.5 OUTLIER -72.28 -32.14 66.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.706 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.34 -30.46 60.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.013 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.529 HD23 ' HD2' ' A' ' 351' ' ' LYS . 9.1 mt -74.38 -35.52 63.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -71.44 -28.67 64.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 346' ' ' GLU . 2.9 mm? -73.78 -42.45 60.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.529 ' HD2' HD23 ' A' ' 348' ' ' LEU . 17.3 ptpt -68.19 -30.59 69.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.81 -31.9 70.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -79.41 -30.95 42.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.075 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -87.02 -31.31 20.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -101.11 108.89 20.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.498 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.824 0.345 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -95.75 152.83 18.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -136.55 103.12 5.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.588 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -73.61 106.18 5.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.948 HD23 HD11 ' B' ' 332' ' ' ILE . 21.3 tp -104.02 97.64 7.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -77.71 96.73 4.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.948 HD11 HD23 ' B' ' 330' ' ' LEU . 4.8 mt -101.12 150.13 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -110.22 42.39 1.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.93 120.68 1.76 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.85 -34.64 60.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -71.43 -58.61 3.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.428 ' HB3' HD13 ' A' ' 348' ' ' LEU . 10.1 ptp180 -54.77 -45.21 74.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.788 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -59.94 -39.37 85.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.323 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.03 -41.91 79.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.663 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.465 ' O ' HD12 ' B' ' 344' ' ' LEU . 1.1 ttp -62.09 -55.5 28.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.437 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.473 ' CD1' ' CD2' ' A' ' 341' ' ' PHE . 3.8 m-85 -58.85 -31.57 68.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.838 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -64.12 -36.5 84.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.268 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -78.84 -31.87 45.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.299 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.759 HD21 HD21 ' C' ' 344' ' ' LEU . 2.2 mp -75.79 -31.26 59.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.539 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.6 ' OD1' HG23 ' A' ' 332' ' ' ILE . 4.7 t30 -74.09 -40.74 62.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.706 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -72.83 -35.22 67.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.2 -29.79 54.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.776 HD13 ' HG3' ' A' ' 337' ' ' ARG . 15.4 mt -79.69 -24.49 41.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.8 -34.77 33.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.543 ' C ' HD12 ' B' ' 350' ' ' LEU . 3.9 pp -78.11 -30.33 49.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.477 ' N ' HD12 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -79.92 -29.15 39.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.785 179.875 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -78.02 -30.67 50.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.11 -31.23 61.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -77.53 -31.68 53.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -91.24 164.7 13.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.483 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 326' ' ' GLU . . . . . 0.433 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.788 0.328 . . . . 0.0 111.203 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.407 ' CE1' ' HG3' ' D' ' 333' ' ' ARG . 24.7 m-85 -105.63 113.96 27.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.433 ' CZ ' ' HB3' ' C' ' 326' ' ' GLU . 23.8 m-85 -105.55 117.59 34.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.6 m -83.86 130.89 34.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.527 HD23 HD11 ' C' ' 332' ' ' ILE . 27.7 tp -130.36 101.7 5.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.587 HE21 ' HD1' ' D' ' 327' ' ' TYR . 3.4 tt0 -85.62 90.11 7.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.527 HD11 HD23 ' C' ' 330' ' ' LEU . 4.4 mt -87.06 153.14 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.057 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.2 37.51 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.48 126.68 4.41 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.31 -40.26 58.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -73.65 -50.08 22.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 mtm105 -57.07 -41.7 79.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.738 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.7 ' CE2' HD13 ' D' ' 330' ' ' LEU . 11.5 t80 -61.38 -47.3 86.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.421 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.48 -34.77 62.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.713 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 3.4 ttp -66.52 -58.34 5.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.326 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.411 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 2.7 m-85 -62.38 -29.82 70.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.666 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -69.2 -33.43 73.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.191 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -78.9 -32.64 45.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.344 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.759 HD21 HD21 ' B' ' 344' ' ' LEU . 0.6 OUTLIER -75.93 -34.92 59.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.495 179.617 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.654 ' OD1' HG23 ' D' ' 332' ' ' ILE . 21.9 m-80 -71.63 -37.23 70.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.426 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.1 -43.3 65.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.592 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.0 -28.57 65.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.672 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.8 HD22 ' HG2' ' D' ' 337' ' ' ARG . 6.1 tp -71.29 -36.96 71.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.725 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -65.37 -31.5 72.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.19 -31.69 64.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -69.12 -31.45 70.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.3 -31.53 72.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.37 -30.75 62.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.52 -40.42 29.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -77.09 -34.84 56.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.352 -1.249 . . . . 0.0 112.471 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 326' ' ' GLU . . . . . 0.427 ' HB3' ' CE1' ' D' ' 328' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.834 0.35 . . . . 0.0 111.193 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.587 ' HD1' HE21 ' C' ' 331' ' ' GLN . 0.0 OUTLIER -106.26 138.24 42.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.427 ' CE1' ' HB3' ' D' ' 326' ' ' GLU . 48.4 m-85 -140.34 140.57 35.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.31 121.21 44.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.7 HD13 ' CE2' ' C' ' 338' ' ' PHE . 13.9 tp -124.48 120.54 32.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -93.48 111.94 23.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.654 HG23 ' OD1' ' C' ' 345' ' ' ASN . 3.8 mp -102.95 124.54 57.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.407 ' HG3' ' CE1' ' C' ' 327' ' ' TYR . 21.3 ttp180 -97.76 74.52 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.52 138.05 2.55 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 8.5 ttp85 -72.78 -47.9 42.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -70.71 -40.63 72.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.8 ' HG2' HD22 ' C' ' 348' ' ' LEU . 2.0 tpp180 -59.12 -51.43 70.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.668 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -60.33 -45.05 94.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.172 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.17 -32.76 64.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.455 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.541 ' O ' HD12 ' D' ' 344' ' ' LEU . 13.4 ttm -67.02 -60.85 2.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.138 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.524 ' HE2' HD13 ' C' ' 344' ' ' LEU . 4.6 m-85 -60.62 -28.16 68.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.745 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -69.33 -36.6 77.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.01 0.433 . . . . 0.0 110.13 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -77.82 -32.27 52.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.294 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.983 HD21 HD21 ' A' ' 344' ' ' LEU . 1.9 mp -73.66 -31.16 63.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.501 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -72.9 -44.15 61.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.71 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -70.6 -33.79 71.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.742 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.85 -33.43 62.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.769 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.1 mm? -71.38 -31.73 67.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.67 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -66.82 -31.68 72.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.5 mt -73.17 -39.23 65.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -68.11 -31.26 70.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -67.81 -31.61 71.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.13 72.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -89.87 -32.08 17.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.27 132.65 54.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.35 -1.25 . . . . 0.0 112.489 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 24.2 mt-10 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.814 0.34 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.433 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 29.5 m-85 -89.88 147.27 23.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 326' ' ' GLU . 13.7 m-85 -137.04 110.94 8.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.57 HG23 ' HG3' ' B' ' 331' ' ' GLN . 2.6 m -90.73 141.72 28.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.725 HD23 HD11 ' A' ' 332' ' ' ILE . 21.1 tp -137.64 108.39 6.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.493 ' HG2' HG22 ' B' ' 329' ' ' THR . 3.8 mm-40 -79.87 84.14 5.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.725 HD11 HD23 ' A' ' 330' ' ' LEU . 5.0 mt -86.76 123.7 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -91.25 75.32 6.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -166.22 128.65 1.79 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -74.31 -46.32 41.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.807 0.337 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -74.68 -45.83 41.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.648 ' CG ' HD13 ' B' ' 348' ' ' LEU . 4.3 ttm180 -57.17 -47.99 79.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.737 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -60.04 -45.93 91.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.355 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -55.38 -34.34 64.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.573 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.33 -58.88 4.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.207 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.411 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.3 m-85 -59.2 -29.52 67.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.644 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -64.99 -39.91 94.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.947 0.403 . . . . 0.0 110.153 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -75.52 -33.52 60.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.287 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.525 HD22 HD11 ' D' ' 344' ' ' LEU . 86.6 mt -72.22 -29.14 63.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.407 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.479 ' ND2' HG12 ' B' ' 332' ' ' ILE . 2.2 t30 -72.18 -46.8 54.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.668 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -70.19 -31.18 68.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.781 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.97 -34.01 51.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.038 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.651 HD13 ' HG2' ' B' ' 337' ' ' ARG . 13.1 mt -77.74 -30.21 51.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.767 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -77.57 -29.88 52.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 10.0 mt -74.31 -31.71 62.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -69.57 -31.02 68.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.95 -31.62 63.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.25 -40.05 62.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -30.66 51.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -88.13 -46.74 9.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.382 -1.232 . . . . 0.0 112.506 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.819 0.342 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 60.55 111.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.414 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 4.3 m-85 -129.53 140.74 51.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.493 HG22 ' HG2' ' A' ' 331' ' ' GLN . 0.8 OUTLIER -103.3 149.33 24.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.868 ' CD2' HD11 ' B' ' 332' ' ' ILE . 11.7 tp -132.11 90.16 2.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.57 ' HG3' HG23 ' A' ' 329' ' ' THR . 24.6 mp0 -84.95 96.26 9.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.868 HD11 ' CD2' ' B' ' 330' ' ' LEU . 4.8 mt -112.62 144.79 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.433 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -98.12 35.6 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.07 126.78 4.93 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -73.44 -35.45 65.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.792 0.33 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -73.43 -46.89 45.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.651 ' HG2' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -56.79 -47.07 81.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.679 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.409 ' CE1' HD13 ' A' ' 330' ' ' LEU . 10.6 t80 -59.15 -46.46 88.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.382 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -54.23 -35.18 62.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.62 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.8 ttm -65.96 -59.31 3.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.216 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.483 ' HE2' HD13 ' B' ' 332' ' ' ILE . 4.5 m-85 -61.05 -29.75 69.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.769 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -36.78 78.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.931 0.396 . . . . 0.0 110.078 179.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -80.01 -30.6 39.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.201 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.866 HD21 HD11 ' C' ' 344' ' ' LEU . 11.1 mt -76.94 -30.01 55.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.588 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.656 ' OD1' HG23 ' A' ' 332' ' ' ILE . 18.6 t30 -76.37 -40.58 50.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.659 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -74.3 -31.96 62.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.724 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.594 ' HB2' ' HE2' ' C' ' 351' ' ' LYS . . . -77.38 -31.11 54.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.953 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.753 HD12 ' O ' ' B' ' 344' ' ' LEU . 0.4 OUTLIER -75.55 -32.2 60.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.694 179.839 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -74.08 -29.19 61.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.754 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.55 -36.53 73.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.613 ' HD2' ' HB2' ' C' ' 347' ' ' ALA . 10.7 mtpp -66.44 -31.94 73.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -64.87 -31.89 73.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.86 -34.11 68.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.069 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -69.5 -34.28 74.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -102.54 167.62 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.514 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.841 0.353 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 61.76 115.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -134.36 129.84 36.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.93 101.12 11.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.703 ' CD2' HD11 ' C' ' 332' ' ' ILE . 5.8 tp -83.69 109.35 17.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.726 ' HG2' HG23 ' D' ' 329' ' ' THR . 75.1 mt-30 -108.11 124.85 50.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.703 HD11 ' CD2' ' C' ' 330' ' ' LEU . 3.8 mp -130.77 153.57 39.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ptt-85 -98.56 32.15 2.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.93 124.27 3.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.511 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -69.18 -33.64 73.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.737 0.304 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -76.27 -51.52 11.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.646 ' CG ' HD13 ' D' ' 348' ' ' LEU . 5.0 mtm180 -55.95 -43.8 77.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.67 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -61.58 -47.54 85.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.347 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -54.84 -33.5 61.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.662 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttm -66.58 -58.39 5.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.318 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.431 ' CD2' ' CD2' ' D' ' 341' ' ' PHE . 3.7 m-85 -60.45 -30.12 69.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.803 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.442 ' HA ' HD21 ' D' ' 330' ' ' LEU . 0.0 OUTLIER -67.71 -36.81 81.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.183 179.439 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -79.11 -31.1 44.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.201 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.866 HD11 HD21 ' B' ' 344' ' ' LEU . 0.1 OUTLIER -75.76 -32.55 60.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.477 179.557 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.515 ' OD1' HG23 ' D' ' 332' ' ' ILE . 51.6 t30 -73.36 -40.88 64.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.707 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.533 ' O ' HD12 ' C' ' 350' ' ' LEU . 15.7 tt0 -72.08 -35.32 69.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.708 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.613 ' HB2' ' HD2' ' B' ' 351' ' ' LYS . . . -74.61 -33.36 62.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.746 HD13 ' CG ' ' D' ' 337' ' ' ARG . 1.7 mt -72.94 -30.18 63.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.71 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -69.12 -29.82 67.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.533 HD12 ' O ' ' C' ' 346' ' ' GLU . 1.2 mp -64.82 -41.88 95.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.594 ' HE2' ' HB2' ' B' ' 347' ' ' ALA . 1.2 mptp? -61.49 -30.92 70.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.85 -32.5 69.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.37 -33.51 65.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -75.75 -34.6 60.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -80.01 85.46 5.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.509 -179.953 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.787 0.327 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 60.21 110.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.403 ' CD2' ' N ' ' D' ' 328' ' ' PHE . 6.9 m-85 -107.24 124.65 50.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.726 HG23 ' HG2' ' C' ' 331' ' ' GLN . 1.3 m -92.8 137.0 32.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.442 HD21 ' HA ' ' C' ' 342' ' ' ARG . 15.9 tp -130.6 97.12 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -67.86 117.86 10.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.515 HG23 ' OD1' ' C' ' 345' ' ' ASN . 30.6 mt -136.86 132.49 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -95.55 42.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -126.77 109.77 1.15 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -60.9 -48.87 79.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.852 0.358 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -68.33 -41.36 80.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.746 ' CG ' HD13 ' C' ' 348' ' ' LEU . 4.0 mtm180 -58.29 -45.61 87.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.769 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -59.33 -48.16 82.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -54.29 -33.75 59.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.631 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.3 mmm -66.61 -58.88 4.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.317 179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.431 ' CD2' ' CD2' ' C' ' 341' ' ' PHE . 3.3 m-85 -61.54 -29.75 70.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.777 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -70.17 -37.85 75.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.981 0.42 . . . . 0.0 110.17 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -78.81 -32.11 46.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.205 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.525 HD11 HD22 ' A' ' 344' ' ' LEU . 0.4 OUTLIER -75.06 -28.7 60.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.504 179.511 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.43 ' OD1' HG23 ' C' ' 332' ' ' ILE . 38.3 t30 -75.25 -43.96 48.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.665 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -72.71 -32.08 65.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.709 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.94 -30.07 50.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.988 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.646 HD13 ' CG ' ' C' ' 337' ' ' ARG . 7.9 mt -76.99 -29.18 55.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -74.4 -31.32 62.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 11.6 mt -74.49 -43.75 54.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.802 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -28.62 64.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.811 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -75.32 -31.04 60.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.845 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.32 -30.95 68.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -68.5 -40.13 81.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -125.91 126.75 44.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.087 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.493 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.792 0.329 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.417 ' CE2' ' HB2' ' B' ' 333' ' ' ARG . 23.3 m-85 -96.76 152.94 18.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -129.57 122.55 29.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.917 HG23 ' HG2' ' B' ' 331' ' ' GLN . 0.2 OUTLIER -100.24 140.69 34.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 330' ' ' LEU . 13.1 tp -137.39 114.19 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -86.54 89.03 7.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.628 HG23 ' OD1' ' B' ' 345' ' ' ASN . 5.0 mt -94.77 130.17 43.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.013 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -95.07 43.97 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -129.4 120.67 3.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -70.0 -48.62 57.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.83 0.348 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -71.6 -48.77 45.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -56.65 -40.72 75.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.752 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -61.45 -49.07 78.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.449 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.02 -33.65 57.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.71 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.4 ttp -66.73 -57.95 6.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.388 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.69 -30.41 69.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.758 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -69.19 -42.16 76.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.083 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -73.98 -31.07 62.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.027 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 1.005 HD11 HD11 ' D' ' 344' ' ' LEU . 0.1 OUTLIER -71.78 -40.42 69.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.38 179.421 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.573 ' OD1' HG23 ' B' ' 332' ' ' ILE . 8.9 t30 -64.07 -41.03 97.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.641 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.718 ' O ' HD23 ' A' ' 350' ' ' LEU . 5.9 tt0 -67.99 -32.5 72.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.764 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.22 -39.06 78.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.985 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.583 HD13 ' HD2' ' A' ' 351' ' ' LYS . 3.6 mm? -65.66 -40.14 92.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.738 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -62.29 -30.55 71.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.7 mm? -67.87 -49.47 61.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.583 ' HD2' HD13 ' A' ' 348' ' ' LEU . 0.3 OUTLIER -63.81 -31.12 72.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.71 -33.39 62.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.86 -32.02 51.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.82 -31.36 17.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 351' ' ' LYS . . . -103.23 91.76 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.48 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.842 0.353 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 60.67 110.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.427 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 5.8 m-85 -116.24 100.22 7.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.4 m -70.56 151.24 45.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.595 ' CD2' HD11 ' B' ' 332' ' ' ILE . 26.0 tp -147.53 108.51 4.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.917 ' HG2' HG23 ' A' ' 329' ' ' THR . 5.4 mm-40 -96.41 102.71 14.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.595 HD11 ' CD2' ' B' ' 330' ' ' LEU . 5.1 mt -110.73 141.61 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.057 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.417 ' HB2' ' CE2' ' A' ' 327' ' ' TYR . 10.0 ttt-85 -97.77 37.89 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.09 119.92 2.63 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -69.17 -36.29 77.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.32 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -75.59 -50.88 14.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -56.38 -43.85 79.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.669 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -61.5 -46.66 89.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.385 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -55.35 -33.96 63.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.64 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 22.9 ttm -66.51 -58.02 6.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.348 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -61.6 -30.34 70.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.685 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.42 -35.2 77.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.985 0.422 . . . . 0.0 110.243 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -80.14 -31.48 39.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.313 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.79 ' O ' HD23 ' B' ' 348' ' ' LEU . 1.9 mt -76.1 -29.92 58.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.571 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.628 ' OD1' HG23 ' A' ' 332' ' ' ILE . 43.4 t30 -75.94 -41.96 50.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.608 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.476 ' O ' HD23 ' B' ' 350' ' ' LEU . 3.6 mm-40 -73.11 -31.96 64.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.734 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.23 -31.07 58.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.974 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.812 HD13 ' HD3' ' B' ' 351' ' ' LYS . 3.1 mm? -74.26 -34.23 63.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.747 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -69.29 -33.43 73.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.476 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.6 mm? -72.66 -45.68 57.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.772 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.812 ' HD3' HD13 ' B' ' 348' ' ' LEU . 6.1 ptmt -72.5 -29.15 63.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.788 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -79.26 -29.69 42.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.33 -30.82 54.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -87.07 -35.05 18.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -104.44 78.92 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.48 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.813 0.34 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 61.04 112.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -127.21 97.12 4.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.39 95.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.749 HD12 ' CD1' ' D' ' 338' ' ' PHE . 6.7 tt -89.68 115.21 26.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.586 ' HG2' HG23 ' D' ' 329' ' ' THR . 42.2 mt-30 -91.94 133.24 35.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.446 HG22 ' H ' ' C' ' 334' ' ' GLY . 3.7 mp -125.93 133.17 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 48.2 ttp85 -98.31 33.79 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.446 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -141.24 129.59 4.11 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -68.6 -39.69 80.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.788 0.328 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -74.02 -49.71 23.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.3 mtm105 -56.64 -42.6 79.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.765 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -61.37 -47.66 84.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.451 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -54.87 -33.38 61.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.547 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.6 ttm -66.51 -59.1 3.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.278 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -60.92 -30.48 70.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.724 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.9 ttt-85 -67.74 -33.91 75.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.996 0.427 . . . . 0.0 110.116 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.49 -31.7 42.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.233 179.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.736 HD21 ' CG ' ' B' ' 344' ' ' LEU . 1.2 mt -74.96 -33.18 61.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.495 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.3 -41.19 63.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.59 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.2 -36.28 71.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.693 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.81 -32.08 69.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.567 HD11 ' HD2' ' D' ' 337' ' ' ARG . 13.4 mt -69.19 -41.08 77.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.597 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -74.4 -25.22 59.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.571 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' C' ' 350' ' ' LEU . 8.8 tp -78.51 -37.69 42.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -73.56 -30.54 63.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.71 -30.99 61.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.92 -30.73 50.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -88.78 -34.84 16.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.03 -33.41 71.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.1 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.471 179.953 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.813 0.34 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 63.44 137.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -152.05 127.3 9.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.586 HG23 ' HG2' ' C' ' 331' ' ' GLN . 0.6 OUTLIER -99.04 125.58 44.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 6.4 tp -130.96 99.26 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -61.2 124.98 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.458 HD13 ' HD1' ' D' ' 341' ' ' PHE . 4.8 mt -127.25 116.4 43.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.092 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -83.46 78.82 9.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.97 136.63 3.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.58 -64.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -60.59 -38.71 85.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.567 ' HD2' HD11 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -59.85 -52.16 66.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.691 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.749 ' CD1' HD12 ' C' ' 330' ' ' LEU . 8.0 t80 -61.37 -44.53 97.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.134 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -57.16 -32.42 66.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.382 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.6 mtp -67.08 -61.09 2.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.115 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.458 ' HD1' HD13 ' D' ' 332' ' ' ILE . 3.0 m-85 -61.93 -28.08 69.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.796 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -73.97 -40.08 63.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.969 0.414 . . . . 0.0 110.065 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -75.88 -30.87 58.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.225 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 1.005 HD11 HD11 ' A' ' 344' ' ' LEU . 1.1 tp -72.59 -31.19 65.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.58 179.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -73.04 -45.96 54.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.718 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.76 -30.72 67.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.734 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.64 -33.19 58.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.726 HD23 ' O ' ' D' ' 344' ' ' LEU . 2.4 mm? -73.14 -31.11 64.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.737 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -69.86 -29.87 67.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 11.4 mt -69.33 -43.91 72.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -61.63 -35.14 77.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.94 -33.9 70.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.45 -31.53 69.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -89.76 -32.11 17.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -92.48 131.49 37.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.401 -1.222 . . . . 0.0 112.524 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.891 0.377 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -72.97 153.09 41.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -137.57 101.8 4.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.08 152.33 39.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.453 HD13 ' CE1' ' B' ' 338' ' ' PHE . 12.9 tp -156.92 116.95 3.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -92.77 83.25 4.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.494 ' H ' HD12 ' A' ' 332' ' ' ILE . 3.6 mp -74.76 128.69 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.65 34.06 2.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.494 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -133.93 107.02 0.64 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.9 ttm-85 -59.27 -31.66 69.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 111.033 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.67 -60.81 2.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.668 ' HB3' HD13 ' B' ' 348' ' ' LEU . 5.5 ptp85 -55.82 -40.82 73.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.41 ' CZ ' ' HD2' ' A' ' 342' ' ' ARG . 3.7 t80 -63.64 -39.25 93.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.304 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -57.4 -41.26 79.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.577 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.564 ' O ' HD12 ' A' ' 344' ' ' LEU . 12.5 ttm -62.37 -55.76 24.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.418 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.423 ' CE1' ' HA ' ' B' ' 341' ' ' PHE . 3.9 m-85 -58.98 -31.34 68.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.697 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.41 ' HD2' ' CZ ' ' A' ' 338' ' ' PHE . 5.5 tpm_? -63.4 -37.3 86.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.261 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -78.35 -32.13 48.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.363 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.701 HD21 HD21 ' D' ' 344' ' ' LEU . 2.7 mp -76.65 -29.54 56.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.639 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.545 ' ND2' HD21 ' B' ' 330' ' ' LEU . 15.9 m-20 -75.4 -39.6 58.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.745 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -75.09 -31.35 61.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.772 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.33 -30.76 48.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.026 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.864 HD13 ' HD3' ' B' ' 337' ' ' ARG . 4.7 mt -77.39 -30.78 53.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.766 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -74.14 -30.48 62.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.807 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.8 mt -69.96 -34.89 73.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -63.83 -31.45 72.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -72.06 -33.69 68.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.65 -32.35 72.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -90.37 -35.08 15.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . 60.59 91.13 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.357 -1.246 . . . . 0.0 112.439 179.948 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.835 0.35 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 63.25 142.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -153.09 124.47 7.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.5 m -94.56 147.63 23.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.993 HD23 HD11 ' B' ' 332' ' ' ILE . 15.5 tp -148.29 151.69 35.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -139.06 109.07 6.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.993 HD11 HD23 ' B' ' 330' ' ' LEU . 3.5 mp -110.33 151.38 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -106.16 34.57 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.13 131.92 6.61 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 -71.93 -52.31 17.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -64.97 -38.79 92.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.864 ' HD3' HD13 ' A' ' 348' ' ' LEU . 13.3 ttp180 -59.56 -52.39 65.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.453 ' CE1' HD13 ' A' ' 330' ' ' LEU . 8.9 t80 -61.11 -45.28 95.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.089 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -56.79 -31.91 65.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.409 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.4 ttm -67.24 -60.3 2.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.22 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.46 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 2.2 m-85 -61.42 -28.29 69.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.797 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -72.03 -37.29 69.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.949 0.404 . . . . 0.0 110.408 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.87 -32.12 51.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.32 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.746 HD11 HD21 ' C' ' 344' ' ' LEU . 0.4 OUTLIER -75.06 -31.36 61.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.584 179.599 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -73.53 -41.62 62.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.61 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.477 ' O ' HD12 ' B' ' 350' ' ' LEU . 1.5 tp10 -70.42 -36.58 74.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.709 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.597 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -70.93 -31.34 67.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.668 HD13 ' HB3' ' A' ' 337' ' ' ARG . 3.5 mt -70.76 -38.94 73.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.703 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -65.15 -31.32 72.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.79 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.477 HD12 ' O ' ' B' ' 346' ' ' GLU . 0.9 OUTLIER -66.04 -38.03 87.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.75 -34.45 72.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.65 -32.68 71.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.75 -30.88 45.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -84.89 -31.26 23.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.63 -31.04 68.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.555 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.768 0.318 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 61.05 113.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -139.31 98.85 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.3 m -63.53 139.82 58.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' C' ' 330' ' ' LEU . 16.5 tp -151.67 117.99 5.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 -106.72 100.23 9.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.523 HG22 ' H ' ' C' ' 334' ' ' GLY . 3.3 mt -98.36 137.37 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -79.67 -29.56 40.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.969 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.523 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -61.77 118.31 14.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.526 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -76.19 -39.5 54.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -68.0 -53.36 26.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.512 ' HB3' HD13 ' D' ' 348' ' ' LEU . 18.1 ptp180 -56.65 -46.92 80.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.751 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 4.1 t80 -59.24 -39.84 84.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.426 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -56.96 -41.12 77.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.642 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.611 ' O ' HD12 ' C' ' 344' ' ' LEU . 10.2 mtm -62.94 -55.97 21.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.371 179.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -58.83 -30.13 67.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.735 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -63.99 -38.93 92.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.242 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -76.06 -33.69 59.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.346 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.746 HD21 HD11 ' B' ' 344' ' ' LEU . 2.5 mp -73.63 -28.75 61.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.529 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.5 ' ND2' HD21 ' D' ' 330' ' ' LEU . 1.2 m-80 -73.52 -43.65 59.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.72 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -72.68 -32.18 65.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.749 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.84 -30.61 51.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.975 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.509 HD13 ' CD ' ' D' ' 337' ' ' ARG . 8.9 mt -76.66 -29.67 56.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.827 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -73.77 -31.63 63.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 9.1 mt -69.93 -38.32 76.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.597 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 4.1 mtmp? -67.24 -41.9 84.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.838 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.21 -31.59 72.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.92 -31.39 61.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -80.45 -38.88 29.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.62 -33.45 72.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.503 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.841 0.353 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 62.63 147.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.426 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 23.8 m-85 -153.66 104.51 2.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.75 117.96 10.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.757 HD23 HD11 ' D' ' 332' ' ' ILE . 6.6 tp -126.57 119.9 28.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -100.94 106.19 17.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.757 HD11 HD23 ' D' ' 330' ' ' LEU . 4.0 mp -97.67 132.31 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -98.39 33.49 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.491 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -137.91 140.99 11.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 48.4 ttt-85 -74.62 -63.0 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.953 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.11 -35.39 73.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.633 ' HG2' HG21 ' D' ' 332' ' ' ILE . 0.1 OUTLIER -61.2 -53.95 50.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.658 179.833 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -61.97 -43.72 98.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.009 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -32.05 66.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.381 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.3 mtp -67.08 -60.19 2.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.218 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.472 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 4.0 m-85 -60.62 -28.47 68.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.734 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -68.2 -38.02 81.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.195 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -77.06 -32.4 56.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.277 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.701 HD21 HD21 ' A' ' 344' ' ' LEU . 0.6 OUTLIER -73.15 -30.32 63.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.49 179.578 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.82 -45.66 57.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.624 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.486 ' O ' HD23 ' D' ' 350' ' ' LEU . 13.5 tp10 -68.98 -32.74 72.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.769 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.46 -31.08 65.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.961 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.512 HD13 ' HB3' ' C' ' 337' ' ' ARG . 17.0 mt -71.46 -40.02 70.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.74 -31.98 73.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.486 HD23 ' O ' ' D' ' 346' ' ' GLU . 2.9 mm? -67.29 -42.3 83.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -60.38 -35.93 76.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -66.57 -34.6 78.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.28 -30.95 54.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -85.39 -32.31 22.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -62.91 145.65 54.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.056 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.474 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.831 0.348 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.43 ' CE1' ' HG3' ' B' ' 333' ' ' ARG . 12.8 m-85 61.26 113.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -135.75 117.28 14.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 2.0 m -81.78 135.97 35.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.742 HD23 HD11 ' A' ' 332' ' ' ILE . 20.3 tp -137.53 107.56 6.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -73.12 93.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.742 HD11 HD23 ' A' ' 330' ' ' LEU . 27.1 mm -75.03 111.17 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.407 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 2.0 ttt180 -91.74 76.54 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.62 124.79 0.75 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 3.0 ptt-85 -60.19 -45.18 94.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -74.39 -44.65 51.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.815 ' HG3' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -57.48 -47.86 80.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.767 179.852 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.773 ' CE1' HD12 ' B' ' 330' ' ' LEU . 10.2 t80 -60.15 -46.36 89.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.355 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -55.33 -33.79 63.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.595 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.531 ' CE ' HD22 ' B' ' 344' ' ' LEU . 2.1 ttp -66.36 -59.04 4.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.285 179.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.453 ' CD1' HD12 ' A' ' 332' ' ' ILE . 3.1 m-85 -63.14 -29.97 71.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.781 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -72.51 -33.66 67.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 0.0 110.202 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -81.25 -31.34 33.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.293 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.825 HD22 HD22 ' D' ' 344' ' ' LEU . 37.2 mt -77.34 -30.52 53.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.537 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -76.74 -39.67 51.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.533 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.617 ' O ' HD12 ' A' ' 350' ' ' LEU . 16.5 tt0 -70.59 -31.73 68.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.683 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.54 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . . . -72.61 -39.49 67.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 344' ' ' LEU . 3.5 mt -67.73 -33.38 74.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.674 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -65.47 -29.98 70.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.799 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.617 HD12 ' O ' ' A' ' 346' ' ' GLU . 0.7 OUTLIER -67.29 -50.52 59.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' A' ' 355' ' ' ALA . 0.1 OUTLIER -59.66 -30.24 68.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.924 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -75.97 -31.11 58.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.17 -37.22 54.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -83.75 -29.52 27.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 351' ' ' LYS . . . -59.41 -30.67 68.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.503 179.962 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.825 0.345 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.407 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 54.3 m-85 -131.67 150.95 51.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.401 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 42.4 m-85 -144.71 102.35 3.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.89 125.79 28.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.773 HD12 ' CE1' ' A' ' 338' ' ' PHE . 2.2 tt -128.29 106.38 8.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -83.22 115.1 21.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -108.49 145.78 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.43 ' HG3' ' CE1' ' A' ' 327' ' ' TYR . 0.2 OUTLIER -99.17 36.11 1.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -144.3 127.12 2.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -31.4 66.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -74.15 -47.72 34.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.45 ' CG ' HD13 ' A' ' 348' ' ' LEU . 0.1 OUTLIER -56.67 -47.93 78.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.771 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.668 ' CE1' HD13 ' A' ' 330' ' ' LEU . 8.9 t80 -59.42 -44.91 92.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.464 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -55.56 -36.45 66.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.61 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -66.65 -58.79 4.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.19 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.415 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 3.9 m-85 -61.5 -27.92 68.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.749 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 6.8 ttt85 -69.25 -35.85 76.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.934 0.397 . . . . 0.0 110.117 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -79.13 -31.44 44.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.196 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.762 ' O ' HD12 ' B' ' 348' ' ' LEU . 0.2 OUTLIER -73.02 -31.93 64.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.439 179.427 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.87 -46.81 50.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.646 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -71.75 -30.89 66.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.732 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.26 -30.2 54.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.992 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.815 HD13 ' HG3' ' A' ' 337' ' ' ARG . 0.6 OUTLIER -74.99 -32.74 61.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.793 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -70.06 -31.26 68.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.2 mt -67.97 -37.88 82.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.802 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -31.57 70.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.791 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.29 -34.89 74.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.64 -30.89 57.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -80.56 -31.54 36.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -116.5 -172.1 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.401 -1.221 . . . . 0.0 112.477 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.804 0.335 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.42 ' CZ ' ' HD2' ' D' ' 333' ' ' ARG . 11.7 m-85 -86.29 152.65 22.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.439 ' HB3' ' CD1' ' D' ' 338' ' ' PHE . 66.6 m-85 -150.03 91.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.56 152.83 44.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.688 HD23 HD11 ' C' ' 332' ' ' ILE . 5.4 tp -156.36 104.82 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.779 ' HG3' HG23 ' D' ' 329' ' ' THR . 5.5 mt-30 -96.81 125.3 41.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.688 HD11 HD23 ' C' ' 330' ' ' LEU . 4.6 mt -127.5 149.41 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.64 33.21 2.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -126.11 138.38 10.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -76.09 -66.14 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.33 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -59.74 -38.37 81.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.657 ' HD2' HD22 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -60.11 -53.15 61.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.558 179.761 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.45 ' CD2' ' CB ' ' D' ' 328' ' ' PHE . 8.3 t80 -62.11 -45.3 94.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.897 179.291 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -56.64 -31.38 64.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.272 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.403 ' O ' HD12 ' C' ' 344' ' ' LEU . 3.7 ttm -67.32 -61.78 1.75 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.099 179.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.471 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 2.1 m-85 -61.05 -28.06 68.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.804 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -76.41 -41.96 45.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.225 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -75.74 -29.98 59.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.189 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.753 HD21 HD11 ' B' ' 344' ' ' LEU . 0.4 OUTLIER -74.0 -33.93 63.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.562 179.629 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.515 ' OD1' HG23 ' D' ' 332' ' ' ILE . 61.1 t30 -73.23 -43.43 61.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.757 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -74.65 -31.07 61.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.68 -30.71 41.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.615 HD13 ' HD2' ' D' ' 337' ' ' ARG . 15.8 mt -78.13 -28.97 48.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.799 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.7 -30.53 61.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.739 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.5 mt -68.89 -33.83 74.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.786 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -62.91 -33.84 76.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.54 -33.19 74.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.86 -31.07 51.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -83.05 -31.59 27.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -62.15 87.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.495 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.794 0.33 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -130.84 152.92 49.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.45 ' CB ' ' CD2' ' C' ' 338' ' ' PHE . 7.2 m-85 -137.99 123.0 19.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.779 HG23 ' HG3' ' C' ' 331' ' ' GLN . 0.8 OUTLIER -99.15 142.17 30.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.891 HD23 HD11 ' D' ' 332' ' ' ILE . 17.6 tp -139.72 119.75 13.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.64 93.7 5.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.891 HD11 HD23 ' D' ' 330' ' ' LEU . 4.8 mt -98.51 136.53 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.42 ' HD2' ' CZ ' ' C' ' 327' ' ' TYR . 23.2 mtp180 -95.92 69.92 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -165.36 133.26 2.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.485 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 12.4 ptt-85 -76.46 -38.25 55.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.772 0.32 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -76.86 -43.26 36.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.615 ' HD2' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -59.02 -51.4 70.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.678 179.826 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.493 ' CE1' HD13 ' C' ' 330' ' ' LEU . 7.1 t80 -60.62 -43.17 97.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.224 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -56.62 -34.15 66.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.465 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.5 ttp -66.95 -60.74 2.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.163 179.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.447 ' CE2' ' HG3' ' D' ' 337' ' ' ARG . 3.4 m-85 -61.48 -27.41 68.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.703 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -33.01 72.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.107 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -77.11 -33.6 56.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.359 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.825 HD22 HD22 ' A' ' 344' ' ' LEU . 73.9 mt -72.3 -36.01 68.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.544 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -68.91 -41.56 78.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.536 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -66.4 -41.03 89.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.685 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.484 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -74.85 -17.27 60.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.143 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.657 HD22 ' HD2' ' C' ' 337' ' ' ARG . 4.3 tp -84.88 -27.38 26.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.836 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -77.66 -29.04 51.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.268 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.544 ' C ' HD12 ' D' ' 350' ' ' LEU . 2.9 pp -77.35 -34.35 55.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.741 0.305 . . . . 0.0 111.072 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.54 ' HE3' ' HB2' ' A' ' 347' ' ' ALA . 0.8 OUTLIER -74.44 -29.73 61.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.781 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -71.56 -31.14 66.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.58 -31.37 70.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -83.98 -44.69 13.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . 60.39 101.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.525 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.4 ' O ' ' CZ ' ' A' ' 328' ' ' PHE . 1.7 mm-40 . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.862 0.363 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -61.14 150.2 34.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.434 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 31.7 m-85 -132.7 94.55 3.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 18.3 m -79.6 105.33 10.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.631 HD23 HD11 ' A' ' 332' ' ' ILE . 21.8 tp -99.67 111.1 23.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.692 ' HG3' HG23 ' B' ' 329' ' ' THR . 16.0 tt0 -90.31 83.78 5.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.684 HG23 ' OD1' ' B' ' 345' ' ' ASN . 3.7 mp -78.42 144.72 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.404 ' HB3' ' CZ ' ' B' ' 327' ' ' TYR . 0.7 OUTLIER -98.68 32.36 2.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.33 114.2 1.5 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -59.73 -46.72 88.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -70.38 -41.82 72.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.522 ' HD3' HD12 ' B' ' 348' ' ' LEU . 1.4 ttm180 -58.18 -45.32 87.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.75 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.479 ' CE1' HD13 ' B' ' 330' ' ' LEU . 13.3 t80 -59.97 -48.89 79.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.468 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -54.28 -32.92 57.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.55 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.506 ' O ' HD12 ' A' ' 344' ' ' LEU . 6.5 ttm -66.87 -59.14 3.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.273 179.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.418 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 3.8 m-85 -59.62 -28.71 67.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.814 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -37.41 83.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.191 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -77.93 -31.93 51.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.311 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.845 HD23 HD21 ' D' ' 344' ' ' LEU . 2.6 mp -75.44 -30.76 60.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.61 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -74.34 -40.61 62.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.766 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.681 ' O ' HD23 ' A' ' 350' ' ' LEU . 4.3 tt0 -73.01 -34.12 66.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.773 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.64 -32.78 58.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.737 HD13 ' HG2' ' B' ' 337' ' ' ARG . 3.4 mt -74.78 -28.23 60.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.704 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -71.46 -29.47 64.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.767 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.681 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.8 mm? -71.56 -48.18 50.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.552 ' HD2' HD23 ' A' ' 348' ' ' LEU . 2.5 ptpt -67.58 -30.29 69.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -73.06 -31.23 64.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.67 -31.1 69.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -89.87 -34.9 15.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -96.63 -170.65 2.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.066 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.466 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.847 0.356 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.404 ' CZ ' ' HB3' ' A' ' 333' ' ' ARG . 17.1 m-85 -101.64 153.12 20.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -145.54 135.22 23.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.692 HG23 ' HG3' ' A' ' 331' ' ' GLN . 0.8 OUTLIER -103.45 114.05 28.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.98 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 1.045 HD23 HD11 ' B' ' 332' ' ' ILE . 15.7 tp -107.07 97.29 7.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -77.7 102.2 6.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 1.045 HD11 HD23 ' B' ' 330' ' ' LEU . 4.8 mt -113.32 141.5 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.065 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -99.63 36.74 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -127.4 120.98 3.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -71.44 -36.19 71.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -76.35 -51.25 12.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.737 ' HG2' HD13 ' A' ' 348' ' ' LEU . 2.1 mtm105 -56.34 -43.3 78.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.693 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 11.8 t80 -62.04 -47.47 84.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.374 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -55.27 -32.61 62.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.561 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.545 ' O ' HD12 ' B' ' 344' ' ' LEU . 9.4 ttm -66.88 -59.09 3.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.254 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.418 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 4.3 m-85 -60.59 -30.53 69.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.775 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -68.01 -34.14 75.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.974 0.416 . . . . 0.0 110.105 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -81.3 -31.49 33.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.201 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.681 ' CG ' HD21 ' C' ' 344' ' ' LEU . 1.8 mp -77.14 -32.3 56.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.444 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.684 ' OD1' HG23 ' A' ' 332' ' ' ILE . 51.6 t30 -77.27 -40.31 45.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.523 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.78 -29.76 61.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.583 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.96 -31.94 59.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.939 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.522 HD12 ' HD3' ' A' ' 337' ' ' ARG . 13.3 mt -74.3 -37.95 63.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.736 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -72.38 -30.23 64.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.754 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.448 ' HA ' HD22 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -71.27 -32.34 68.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.475 ' O ' ' HB3' ' B' ' 355' ' ' ALA . 23.3 ttmt -66.22 -31.61 72.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -68.06 -32.99 73.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.72 -31.25 72.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -116.1 31.01 6.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 355' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' B' ' 351' ' ' LYS . . . -158.0 31.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.378 -1.235 . . . . 0.0 112.468 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.848 0.356 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 60.82 111.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.428 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 21.1 m-85 -121.94 125.78 47.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 8.0 m -82.15 105.23 13.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.987 HD23 HD11 ' C' ' 332' ' ' ILE . 14.3 tp -106.59 116.09 31.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -83.33 92.94 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.987 HD11 HD23 ' C' ' 330' ' ' LEU . 24.0 mm -81.88 119.44 31.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -98.42 30.61 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.544 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -137.0 119.96 2.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.435 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -59.89 -44.75 94.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.768 0.318 . . . . 0.0 110.935 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.88 -43.26 62.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.621 ' HG3' HD13 ' D' ' 348' ' ' LEU . 4.4 ttm180 -57.25 -47.64 80.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.743 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.734 ' CE2' HD13 ' D' ' 330' ' ' LEU . 12.3 t80 -59.63 -48.05 83.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.337 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -32.99 59.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.649 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.7 ttm -66.75 -58.71 4.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.354 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.423 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.6 m-85 -61.27 -29.8 70.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.859 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -36.48 75.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.968 0.413 . . . . 0.0 110.154 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -79.89 -30.91 40.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.248 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.681 HD21 ' CG ' ' B' ' 344' ' ' LEU . 0.9 OUTLIER -76.55 -29.86 56.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.515 179.604 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -76.17 -41.47 49.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.723 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.689 ' O ' HD23 ' C' ' 350' ' ' LEU . 3.7 mt-10 -74.27 -32.03 62.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.704 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.82 -31.03 51.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.706 HD13 ' HG3' ' D' ' 337' ' ' ARG . 14.8 mt -75.76 -30.96 59.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.745 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -71.24 -30.53 66.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.689 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.7 mm? -69.22 -43.21 74.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -62.27 -31.01 71.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.98 -31.51 68.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.5 -41.7 62.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.48 -31.53 37.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -83.53 -69.55 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.457 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.8 0.333 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 61.37 113.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -134.32 95.27 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.4 104.54 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.734 HD13 ' CE2' ' C' ' 338' ' ' PHE . 32.3 tp -108.26 122.63 47.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.12 83.12 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.801 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.543 HD11 HD23 ' D' ' 330' ' ' LEU . 4.6 mt -81.8 142.75 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -104.99 -174.42 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 63.48 122.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 7.5 tpt85 -64.16 -30.12 71.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.73 0.3 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -74.19 -56.21 5.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.706 ' HG3' HD13 ' C' ' 348' ' ' LEU . 1.2 ttm180 -55.5 -42.01 73.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.717 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.428 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 9.1 t80 -63.06 -45.34 92.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.323 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.65 -34.25 64.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.597 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttm -66.67 -58.73 4.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.265 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.501 ' CE1' HG21 ' D' ' 332' ' ' ILE . 2.9 m-85 -63.42 -29.61 70.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.681 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.404 ' HG3' ' CE1' ' D' ' 338' ' ' PHE . 2.3 tmt_? -71.29 -33.98 70.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.97 0.414 . . . . 0.0 110.168 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -81.95 -31.2 31.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.235 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.845 HD21 HD23 ' A' ' 344' ' ' LEU . 12.0 mt -78.35 -29.32 47.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.569 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -78.58 -38.75 39.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.682 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -76.1 -30.25 58.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.638 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.48 ' HB2' ' CE ' ' A' ' 351' ' ' LYS . . . -78.11 -31.53 50.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.714 HD12 ' O ' ' D' ' 344' ' ' LEU . 0.7 OUTLIER -76.27 -33.4 59.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.701 179.845 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -75.91 -26.48 57.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.715 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.18 -37.68 61.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.526 ' HD3' HD23 ' D' ' 348' ' ' LEU . 12.6 ptmm? -68.76 -31.49 70.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.4 -31.17 68.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.06 -31.26 69.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -117.33 29.81 7.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.46 79.45 8.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.038 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.311 -1.272 . . . . 0.0 112.478 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.826 0.346 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.405 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 14.3 m-85 60.12 101.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.429 ' N ' ' CD1' ' A' ' 328' ' ' PHE . 4.2 m-85 -110.92 127.59 55.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 3.8 m -82.23 144.67 30.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.74 HD23 HD11 ' A' ' 332' ' ' ILE . 18.2 tp -147.84 103.47 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -83.91 87.28 7.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.74 HD11 HD23 ' A' ' 330' ' ' LEU . 3.6 mp -89.21 142.87 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -106.11 77.55 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.33 125.77 1.07 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -74.17 -34.78 63.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.763 0.316 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -75.25 -52.63 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.4 ttm105 -56.45 -39.33 72.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.732 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.416 ' CE1' ' HG3' ' A' ' 342' ' ' ARG . 12.1 t80 -63.31 -48.49 77.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.319 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -53.98 -34.49 59.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.638 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.469 ' O ' HD12 ' A' ' 344' ' ' LEU . 8.3 ttm -65.49 -58.38 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.251 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.501 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 3.6 m-85 -60.44 -31.93 70.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.416 ' HG3' ' CE1' ' A' ' 338' ' ' PHE . 0.2 OUTLIER -68.81 -36.22 77.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.963 0.411 . . . . 0.0 110.233 179.491 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -80.27 -29.93 38.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.32 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.714 ' CG ' HD21 ' D' ' 344' ' ' LEU . 1.3 mp -78.47 -32.59 48.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.566 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -78.55 -37.87 41.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.601 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -77.57 -28.77 51.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.605 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.86 -32.28 40.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.583 HD13 ' CD ' ' B' ' 337' ' ' ARG . 3.9 mt -77.78 -31.28 51.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.632 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -75.4 -26.16 58.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.664 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -72.25 -39.61 68.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -66.59 -29.29 69.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -69.94 -31.83 69.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.48 -31.3 60.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -74.57 -33.13 62.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -108.4 79.99 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.376 -1.236 . . . . 0.0 112.493 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.791 0.329 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 60.59 111.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 6.3 m-85 -124.95 128.68 48.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.81 132.08 41.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 23.3 tp -141.01 113.45 8.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -92.68 87.69 5.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.55 ' H ' HD12 ' B' ' 332' ' ' ILE . 3.6 mp -72.42 137.14 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.405 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -97.27 79.0 2.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.87 127.78 1.0 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.537 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -61.62 -58.09 9.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -61.93 -35.89 79.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.583 ' CD ' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -61.23 -54.56 42.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.558 179.874 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.564 ' CE2' HD13 ' A' ' 330' ' ' LEU . 6.9 t80 -60.95 -43.39 98.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.135 179.416 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -32.11 67.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.414 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.4 ttm -67.63 -60.35 2.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.235 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.501 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 3.5 m-85 -61.13 -26.84 67.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.736 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -69.97 -35.82 74.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.271 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.0 -31.92 39.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.273 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.794 ' O ' HD23 ' B' ' 348' ' ' LEU . 0.4 OUTLIER -76.43 -30.57 57.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.5 179.527 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -75.15 -40.67 59.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.667 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.652 ' O ' HD23 ' B' ' 350' ' ' LEU . 3.7 tt0 -71.21 -33.73 70.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.707 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.0 -34.25 68.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.794 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.5 mm? -69.58 -38.38 77.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.649 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -63.55 -29.99 71.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.782 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.652 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.8 mm? -68.44 -50.12 54.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.52 ' HD2' HD13 ' B' ' 348' ' ' LEU . 17.8 ptpt -61.54 -30.91 70.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -67.09 -31.95 72.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.69 -31.52 46.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.075 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -86.08 -32.28 21.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -105.75 -172.46 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.546 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.822 0.344 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 62.9 144.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.444 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 17.1 m-85 -153.31 103.82 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.9 m -61.28 142.85 56.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.437 HD13 ' HD2' ' D' ' 342' ' ' ARG . 17.5 tp -147.79 105.66 3.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -85.48 83.68 7.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.554 ' H ' HD12 ' C' ' 332' ' ' ILE . 3.6 mp -69.16 128.33 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.444 ' CG ' ' CE1' ' D' ' 327' ' ' TYR . 0.0 OUTLIER -99.98 74.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 169.09 119.77 0.5 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.444 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.0 ptm85 -60.25 -35.19 74.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -74.3 -48.93 25.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -57.06 -42.33 80.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.722 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -61.56 -48.17 82.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.444 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -54.75 -33.22 60.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.591 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.9 ttm -66.71 -58.5 4.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.339 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.63 -30.0 69.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.737 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -35.63 79.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.177 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -79.57 -31.49 41.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.289 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.796 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.9 OUTLIER -75.21 -30.0 60.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.588 179.537 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -75.68 -42.91 49.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.71 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.57 -30.17 62.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.72 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.06 -30.79 49.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.03 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.796 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.5 mm? -76.48 -31.91 58.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.754 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.76 -31.12 64.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.817 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 mt -68.97 -36.53 78.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -62.66 -32.49 73.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.5 -31.49 72.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.12 -31.79 73.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -77.65 -53.71 7.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . 59.59 94.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.365 -1.241 . . . . 0.0 112.538 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.801 0.334 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.444 ' CE1' ' CG ' ' C' ' 333' ' ' ARG . 43.7 m-85 -84.16 132.63 34.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -121.03 103.05 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.83 134.21 49.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.596 HD23 HD11 ' D' ' 332' ' ' ILE . 10.3 tp -141.82 115.41 9.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -90.1 132.18 35.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.596 HD11 HD23 ' D' ' 330' ' ' LEU . 3.8 mp -137.26 129.96 43.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 21.0 ttp85 -72.68 -31.13 64.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.442 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -61.9 116.74 9.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.514 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 37.8 ttp85 -74.02 -35.77 64.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.332 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -73.03 -47.59 43.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.7 mtm105 -58.71 -41.25 85.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.689 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.444 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 11.6 t80 -61.45 -47.12 87.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.482 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -54.33 -36.48 63.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.68 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.5 ttm -65.99 -57.85 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.277 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.38 -29.88 70.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.684 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.437 ' HD2' HD13 ' C' ' 330' ' ' LEU . 1.7 tpm_? -69.06 -34.81 75.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.204 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -79.84 -31.54 40.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.288 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.808 ' O ' HD23 ' D' ' 348' ' ' LEU . 0.5 OUTLIER -75.38 -30.72 60.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.562 179.586 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.417 ' OD1' HG23 ' C' ' 332' ' ' ILE . 42.0 t30 -75.45 -42.04 54.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.691 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -71.82 -30.33 65.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.642 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.79 -34.58 64.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.03 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.808 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.6 mm? -71.27 -37.84 71.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.774 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -70.67 -30.44 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -38.77 69.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -66.19 -31.46 72.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.98 -36.17 79.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.21 -31.53 72.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.064 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -81.45 -33.15 32.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -130.5 81.24 1.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.051 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.511 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.797 0.332 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 62.7 146.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.428 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 15.6 m-85 -153.17 98.95 2.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.414 HG23 ' HG3' ' B' ' 331' ' ' GLN . 0.2 OUTLIER -65.6 134.66 53.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.809 HD13 ' CE2' ' B' ' 338' ' ' PHE . 6.9 tp -141.48 124.09 15.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -104.5 140.9 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.592 HG23 ' CZ ' ' A' ' 337' ' ' ARG . 3.9 mp -133.5 135.85 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.24 35.17 2.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.408 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -145.32 139.81 8.61 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -33.57 48.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.766 0.317 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.39 -34.91 31.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.722 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.635 ' CD ' HD13 ' B' ' 348' ' ' LEU . 0.1 OUTLIER -65.87 -50.63 63.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.471 179.671 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.419 ' CE2' HD22 ' B' ' 330' ' ' LEU . 5.9 t80 -64.33 -42.54 96.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.927 179.228 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -58.42 -32.34 68.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.333 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 3.8 ttp -66.98 -60.03 2.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.248 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.465 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 3.4 m-85 -62.13 -28.88 69.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.757 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -71.37 -37.57 71.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.922 0.392 . . . . 0.0 110.121 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -78.11 -31.23 49.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.235 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.816 ' O ' HD23 ' A' ' 348' ' ' LEU . 62.1 mt -75.04 -30.45 61.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.587 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.684 ' ND2' HD12 ' B' ' 332' ' ' ILE . 8.2 m-20 -74.53 -42.51 58.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.714 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -71.48 -32.41 68.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.23 -32.0 61.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.047 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.816 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.5 mm? -73.32 -33.68 65.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.804 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -68.49 -31.59 70.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 mt -70.25 -32.32 70.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -65.69 -31.76 72.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.819 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.58 -31.95 72.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.75 -31.24 71.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -83.01 -46.17 13.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . 60.32 78.94 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.468 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.807 0.337 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 61.98 116.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -129.89 106.06 8.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.49 152.75 42.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.479 HD23 HD11 ' B' ' 332' ' ' ILE . 12.1 tp -157.21 121.67 4.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.414 ' HG3' HG23 ' A' ' 329' ' ' THR . 3.1 mt-30 -99.87 91.0 4.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.684 HD12 ' ND2' ' A' ' 345' ' ' ASN . 26.4 mm -78.89 137.71 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.9 30.63 4.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.524 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -123.98 136.66 10.35 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.428 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -75.81 -67.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -61.47 -40.97 96.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.813 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.492 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -59.23 -51.14 71.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.657 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.809 ' CE2' HD13 ' A' ' 330' ' ' LEU . 8.7 t80 -61.6 -45.19 95.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.132 179.397 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.29 -32.24 64.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.407 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -67.01 -61.13 2.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.164 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.492 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 5.3 m-85 -59.55 -28.42 67.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.602 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.0 ttp85 -65.94 -35.46 80.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.134 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.1 -32.55 56.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.346 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.699 HD21 HD11 ' C' ' 344' ' ' LEU . 2.5 mp -73.15 -33.01 65.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.521 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.458 ' ND2' HD21 ' A' ' 330' ' ' LEU . 36.3 m-80 -71.49 -42.92 67.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.762 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -71.58 -31.15 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.493 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -76.23 -33.6 59.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.039 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.635 HD13 ' CD ' ' A' ' 337' ' ' ARG . 0.9 OUTLIER -73.94 -30.71 62.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -71.36 -30.57 66.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.773 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 mt -66.94 -38.65 86.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.807 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.689 ' CE ' ' HB2' ' C' ' 347' ' ' ALA . 49.6 mttt -59.9 -31.17 69.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -74.09 -34.37 63.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.36 -37.92 63.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -31.47 40.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -76.55 171.7 14.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.506 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.821 0.343 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -135.55 152.24 51.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -150.44 88.6 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 2.4 m -60.9 126.34 27.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 1.007 HD23 HD11 ' C' ' 332' ' ' ILE . 9.7 tp -121.07 110.85 16.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.628 ' HG3' HG22 ' D' ' 329' ' ' THR . 9.7 mt-30 -84.15 115.5 22.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 1.007 HD11 HD23 ' C' ' 330' ' ' LEU . 4.7 mt -124.6 130.07 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.043 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.41 ' HB3' ' CE2' ' D' ' 327' ' ' TYR . 13.0 ptt180 -95.86 78.28 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.93 128.32 1.28 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.04 -33.17 63.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.11 -54.01 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -56.32 -40.92 75.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.684 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.738 ' CE1' HD12 ' D' ' 330' ' ' LEU . 11.3 t80 -63.35 -47.01 83.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.384 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -55.6 -32.81 63.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.7 ttm -67.3 -58.51 4.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.361 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.554 ' CD2' HD13 ' C' ' 332' ' ' ILE . 3.1 m-85 -61.18 -29.15 69.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.741 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -68.28 -34.12 75.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.212 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -80.16 -32.48 38.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.279 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.699 HD11 HD21 ' B' ' 344' ' ' LEU . 0.7 OUTLIER -76.67 -30.74 56.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.551 179.629 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.439 ' OD1' HG23 ' D' ' 332' ' ' ILE . 4.6 t30 -75.78 -38.92 57.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.661 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -71.57 -31.9 67.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.73 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.689 ' HB2' ' CE ' ' B' ' 351' ' ' LYS . . . -72.98 -37.12 67.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.759 HD13 ' HB3' ' D' ' 337' ' ' ARG . 1.9 mt -69.64 -35.02 74.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.814 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -72.87 -30.65 64.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.04 -32.93 69.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -66.34 -31.47 72.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -65.05 -32.31 73.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.09 -38.69 92.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -72.23 -32.86 67.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -108.98 84.73 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.521 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.866 0.365 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.41 ' CE2' ' HB3' ' C' ' 333' ' ' ARG . 50.5 m-85 -77.53 146.84 36.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -137.12 97.84 3.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.628 HG22 ' HG3' ' C' ' 331' ' ' GLN . 0.7 OUTLIER -70.96 109.23 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.738 HD12 ' CE1' ' C' ' 338' ' ' PHE . 6.9 tt -103.05 100.98 10.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -63.65 111.41 2.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.439 HG23 ' OD1' ' C' ' 345' ' ' ASN . 4.5 mt -112.57 127.34 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.3 ptt85 -106.53 83.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.84 135.05 1.82 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -32.98 58.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.754 0.311 . . . . 0.0 110.962 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -74.88 -54.52 7.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.759 ' HB3' HD13 ' C' ' 348' ' ' LEU . 14.0 ptp180 -56.14 -47.35 78.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.744 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -59.87 -40.42 88.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.312 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -57.21 -39.89 76.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.673 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.434 ' O ' HD12 ' D' ' 344' ' ' LEU . 4.2 mtm -63.51 -55.4 24.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.39 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -59.34 -32.58 70.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.765 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -64.34 -39.6 94.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.189 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -77.97 -30.73 50.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.243 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.617 ' CD2' HD21 ' A' ' 344' ' ' LEU . 1.8 mp -76.97 -31.87 56.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.551 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -73.86 -38.36 64.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.697 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.555 ' O ' HD12 ' D' ' 350' ' ' LEU . 1.5 tp10 -75.3 -30.24 60.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.737 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.36 -28.55 56.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.997 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.49 HD23 ' O ' ' D' ' 344' ' ' LEU . 2.3 mm? -76.8 -40.06 49.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -28.7 61.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.816 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.555 HD12 ' O ' ' D' ' 346' ' ' GLU . 2.8 mt -76.08 -30.75 58.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.793 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -71.01 -30.97 67.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.2 -31.56 64.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.1 -41.42 61.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.464 ' OE1' ' HB2' ' D' ' 355' ' ' ALA . 0.0 OUTLIER -78.12 -31.3 49.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 355' ' ' ALA . . . . . 0.464 ' HB2' ' OE1' ' D' ' 354' ' ' GLN . . . -118.38 37.0 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.339 -1.256 . . . . 0.0 112.488 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.84 0.352 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -87.35 152.92 21.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -143.82 102.16 3.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 7.4 m -64.09 150.82 44.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.772 ' HG ' HD11 ' A' ' 332' ' ' ILE . 13.6 tp -146.23 106.14 3.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -105.93 118.53 36.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.772 HD11 ' HG ' ' A' ' 330' ' ' LEU . 3.0 mp -125.64 152.97 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -103.56 33.31 3.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -128.52 134.03 7.92 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.484 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.66 -47.96 24.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.347 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -69.2 -39.72 78.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.467 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 0.9 OUTLIER -59.79 -52.95 63.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.642 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.445 ' CD2' ' CB ' ' B' ' 328' ' ' PHE . 7.8 t80 -61.33 -44.27 97.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.016 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -56.65 -32.48 65.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.379 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.6 ttp -66.79 -60.86 2.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.158 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.467 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 6.0 m-85 -59.04 -27.91 65.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -35.98 80.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.91 0.386 . . . . 0.0 110.122 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -76.85 -36.97 56.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.271 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.773 ' O ' HD23 ' A' ' 348' ' ' LEU . 0.5 OUTLIER -70.51 -28.84 65.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.363 179.421 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -72.06 -47.37 52.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.719 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -69.65 -31.32 69.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.805 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.44 -31.05 57.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.773 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.2 mm? -74.88 -31.37 61.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -72.01 -30.97 65.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.75 -40.21 79.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -64.92 -40.93 95.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -63.92 -31.38 72.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.32 87.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -72.17 -46.08 57.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -80.13 -68.26 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.357 -1.246 . . . . 0.0 112.529 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.809 0.338 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -89.49 150.3 22.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.445 ' CB ' ' CD2' ' A' ' 338' ' ' PHE . 20.0 m-85 -137.96 99.75 3.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.91 152.94 38.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 21.7 tp -157.98 112.44 2.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.595 ' C ' HD12 ' B' ' 332' ' ' ILE . 9.0 mp0 -96.28 145.83 25.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.595 HD12 ' C ' ' B' ' 331' ' ' GLN . 3.4 mp -144.48 149.62 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -102.24 35.83 2.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -130.41 137.32 9.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -74.41 -60.76 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -59.58 -34.56 72.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.501 ' HG2' HG21 ' B' ' 332' ' ' ILE . 0.0 OUTLIER -61.28 -54.45 43.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.642 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -60.76 -43.23 98.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.089 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.57 -32.33 67.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.324 179.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.428 ' O ' HD12 ' B' ' 344' ' ' LEU . 0.6 OUTLIER -67.84 -61.31 1.93 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.192 179.339 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.47 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 2.0 m-85 -62.92 -24.81 68.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.723 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.13 -39.1 60.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.23 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -75.93 -33.09 59.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.423 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.692 ' CG ' HD21 ' C' ' 344' ' ' LEU . 1.5 mp -74.22 -31.42 62.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.478 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.474 ' ND2' HD21 ' A' ' 330' ' ' LEU . 12.5 m-20 -71.41 -41.47 69.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.747 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.6 -32.79 66.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.66 -31.95 57.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.576 HD23 ' O ' ' B' ' 344' ' ' LEU . 2.9 mm? -74.77 -30.39 61.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.783 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -71.51 -31.07 66.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -67.22 -37.73 84.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -60.71 -31.94 71.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.54 -36.55 78.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.61 66.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -72.7 -31.7 65.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.98 141.04 29.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.473 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.833 0.349 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 60.24 108.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -111.88 104.68 12.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.432 ' CG2' HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -65.1 144.24 57.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.964 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.913 HD23 HD11 ' C' ' 332' ' ' ILE . 18.6 tp -144.33 97.52 3.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -77.75 87.87 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.913 HD11 HD23 ' C' ' 330' ' ' LEU . 21.7 mt -92.32 135.74 26.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -101.6 31.35 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.546 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -131.2 108.16 0.79 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.525 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -32.14 70.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -76.28 -54.07 7.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttm105 -56.64 -40.21 75.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.64 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -62.69 -47.02 85.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.365 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.6 -34.37 61.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.682 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.8 mtm -66.46 -58.68 4.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.301 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -60.29 -29.1 68.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.727 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -36.1 80.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.21 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -79.89 -32.2 40.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.273 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.692 HD21 ' CG ' ' B' ' 344' ' ' LEU . 1.5 mt -76.28 -28.73 57.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.507 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -76.39 -41.79 46.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.714 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -74.25 -31.97 62.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.709 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.92 -30.69 50.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.965 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.69 HD13 ' HG3' ' D' ' 337' ' ' ARG . 11.7 mt -76.33 -30.79 57.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.781 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -72.42 -31.04 65.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.8 mt -67.72 -34.27 76.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -61.96 -35.55 78.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -32.01 71.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.85 -43.05 63.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -75.26 -31.56 60.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.16 -31.19 34.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.038 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.367 -1.241 . . . . 0.0 112.506 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.811 0.338 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 63.39 128.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.948 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -141.87 104.78 4.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.432 HG22 ' CG2' ' C' ' 329' ' ' THR . 0.2 OUTLIER -66.15 127.81 33.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 37.7 tp -125.96 118.57 25.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -93.0 87.02 5.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.569 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.9 mp -80.66 116.45 24.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.7 79.41 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 167.29 131.26 1.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -32.88 61.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -75.86 -50.03 16.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.69 ' HG3' HD13 ' C' ' 348' ' ' LEU . 4.6 ttm180 -56.87 -45.23 82.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.668 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.591 ' CE1' HD13 ' C' ' 330' ' ' LEU . 9.9 t80 -60.81 -45.91 92.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.337 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.91 -34.41 63.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.632 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.54 -59.34 3.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.284 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.54 -28.54 68.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.706 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -67.99 -33.79 75.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.184 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.51 -32.26 36.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.272 179.352 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.831 ' O ' HD23 ' D' ' 348' ' ' LEU . 0.7 OUTLIER -76.13 -32.3 59.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.438 179.541 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -74.18 -40.38 62.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.713 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -72.79 -32.08 65.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.711 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.53 -31.28 63.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.967 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.831 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.5 mm? -72.83 -40.28 65.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.748 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -66.71 -30.13 70.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.8 mt -72.75 -45.4 58.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.773 ' HD3' HD13 ' D' ' 348' ' ' LEU . 5.7 ptmm? -70.25 -30.73 67.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -75.78 -30.98 59.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.84 -31.11 61.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -85.89 -40.63 15.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -101.56 94.16 5.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.392 -1.226 . . . . 0.0 112.48 179.95 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 1.6 mm-40 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.814 0.34 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -104.61 134.56 47.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 326' ' ' GLU . 7.7 m-85 -129.52 107.97 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 6.0 m -77.75 146.2 36.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.546 HD12 ' CE1' ' B' ' 338' ' ' PHE . 1.2 tt -148.29 97.43 2.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -75.89 106.14 7.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.494 HG22 ' H ' ' A' ' 334' ' ' GLY . 3.4 mp -99.91 138.39 24.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.145 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -99.46 31.04 3.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.494 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -147.63 127.11 2.54 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 10.2 ttt85 -70.39 -36.02 73.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -67.11 -47.31 71.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.692 ' HG3' HD13 ' B' ' 348' ' ' LEU . 0.1 OUTLIER -56.93 -47.66 80.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.692 179.905 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.436 ' CE2' ' HD3' ' A' ' 342' ' ' ARG . 8.5 t80 -60.01 -45.46 92.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.358 179.683 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -55.35 -34.36 64.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.615 179.723 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.3 ttp -66.92 -59.2 3.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.257 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.428 ' CD2' ' CD2' ' B' ' 341' ' ' PHE . 3.7 m-85 -60.47 -27.45 67.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.705 179.557 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.436 ' HD3' ' CE2' ' A' ' 338' ' ' PHE . 9.8 tpt85 -68.02 -37.49 81.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.964 0.411 . . . . 0.0 110.113 179.374 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -76.94 -32.69 57.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.342 179.462 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.74 HD21 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -73.78 -31.91 63.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.469 179.551 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -71.37 -43.07 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.682 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -69.68 -37.47 76.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.766 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.38 -30.08 65.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 179.812 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 344' ' ' LEU . 6.4 mt -71.79 -37.09 70.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.809 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -31.82 71.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 mt -66.85 -35.49 80.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -60.86 -37.71 83.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.76 -31.64 71.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.03 -32.99 65.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -69.78 -31.62 69.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -100.81 154.56 18.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.325 -1.264 . . . . 0.0 112.466 -179.94 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.835 0.35 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 63.39 135.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -150.33 124.44 9.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 10.6 m -90.43 108.96 20.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 33.1 tp -103.95 111.11 23.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -96.79 105.0 17.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.506 HG22 ' H ' ' B' ' 334' ' ' GLY . 3.7 mt -103.96 139.59 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -98.2 30.1 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.506 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -128.71 129.63 6.25 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.366 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 10.7 ttm-85 -77.8 -51.1 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.742 0.306 . . . . 0.0 111.143 -179.783 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -60.16 -50.76 72.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.078 -179.806 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -60.26 -46.19 90.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.552 179.803 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.546 ' CE1' HD12 ' A' ' 330' ' ' LEU . 3.8 t80 -60.61 -39.57 88.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.293 179.539 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.34 -40.1 77.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.756 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.7 mtm -63.44 -55.96 20.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.39 179.583 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.428 ' CD2' ' CD2' ' A' ' 341' ' ' PHE . 4.0 m-85 -59.59 -31.13 69.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.786 179.771 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -37.97 88.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.944 0.402 . . . . 0.0 110.26 179.496 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -79.19 -30.68 43.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.202 179.267 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.655 ' O ' HD12 ' B' ' 348' ' ' LEU . 0.2 OUTLIER -76.42 -31.57 57.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.474 179.582 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -74.82 -41.34 60.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.656 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.659 ' OE1' HD23 ' B' ' 350' ' ' LEU . 3.1 tm-20 -72.5 -32.69 66.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.767 179.82 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.853 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -75.32 -31.84 60.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.953 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.692 HD13 ' HG3' ' A' ' 337' ' ' ARG . 0.8 OUTLIER -72.84 -34.85 67.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.661 179.82 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -66.67 -31.34 71.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.808 179.877 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.659 HD23 ' OE1' ' B' ' 346' ' ' GLU . 1.8 mm? -72.85 -42.6 63.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.787 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -68.58 -31.3 70.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -70.88 -31.01 67.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.28 -43.67 66.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -75.63 -30.14 59.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -125.3 -69.47 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.115 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.407 -1.219 . . . . 0.0 112.506 179.978 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.832 0.348 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 60.89 112.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -128.15 110.55 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.636 ' CG2' HG22 ' D' ' 329' ' ' THR . 4.5 m -98.36 134.08 41.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.697 HD23 HD11 ' C' ' 332' ' ' ILE . 16.0 tp -123.81 110.07 14.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.412 ' HG3' HG23 ' D' ' 329' ' ' THR . 5.7 mp0 -88.93 85.88 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.697 HD11 HD23 ' C' ' 330' ' ' LEU . 4.2 mt -83.03 138.07 19.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.065 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 9.0 ptt180 -100.11 36.7 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -135.16 116.35 1.54 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.442 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.95 -35.11 74.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -78.84 -47.24 17.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.678 ' HD3' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -57.67 -49.58 76.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.719 179.736 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -61.88 -44.24 97.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.103 179.469 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -56.65 -32.17 65.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.389 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -61.71 1.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.993 179.31 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.49 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 6.7 m-85 -58.35 -28.51 65.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.75 179.428 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -65.88 -39.58 90.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.93 0.395 . . . . 0.0 110.121 179.288 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -75.6 -33.42 60.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.22 179.353 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.608 HD11 HD11 ' B' ' 344' ' ' LEU . 0.3 OUTLIER -72.04 -30.47 65.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.401 179.477 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -70.8 -46.8 62.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.595 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.407 ' O ' HD12 ' C' ' 350' ' ' LEU . 0.0 OUTLIER -70.77 -24.88 62.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.898 179.818 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.853 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -78.25 -30.94 48.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.97 179.877 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -75.87 -40.66 54.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.701 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.03 -28.46 64.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.745 179.755 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.407 HD12 ' O ' ' C' ' 346' ' ' GLU . 5.7 mt -71.21 -31.61 67.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.757 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.448 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 6.3 mttp -64.37 -35.76 81.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.81 -31.18 69.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.88 -34.72 73.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -110.93 30.9 6.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -149.62 176.96 10.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.521 -179.969 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.81 0.338 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -78.03 143.09 37.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -133.96 130.67 38.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.636 HG22 ' CG2' ' C' ' 329' ' ' THR . 0.2 OUTLIER -102.95 111.79 24.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 39.7 tp -105.81 89.36 3.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -72.66 115.83 12.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.456 HG22 ' H ' ' D' ' 334' ' ' GLY . 22.9 mt -124.38 139.14 51.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ptp85 -98.52 30.94 3.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.456 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -128.3 119.64 3.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.413 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -65.38 -47.58 75.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.55 -45.43 90.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.487 ' HG3' ' CE2' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -58.3 -50.1 74.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.695 179.891 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -62.14 -43.79 98.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.143 179.425 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -56.85 -32.59 65.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.389 179.476 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.539 ' O ' HD12 ' D' ' 344' ' ' LEU . 9.4 ttm -67.19 -61.42 1.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.15 179.294 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.487 ' CE2' ' HG3' ' D' ' 337' ' ' ARG . 4.7 m-85 -60.35 -26.8 66.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.772 179.532 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -69.57 -33.29 72.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.241 179.415 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -79.88 -32.57 40.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.412 179.461 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.74 HD21 HD21 ' A' ' 344' ' ' LEU . 3.6 mp -76.66 -30.23 56.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.696 179.67 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -77.12 -37.74 53.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.765 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -74.46 -29.05 61.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.417 ' HA ' ' CD2' ' D' ' 350' ' ' LEU . . . -82.15 -28.86 31.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.042 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.678 HD13 ' HD3' ' C' ' 337' ' ' ARG . 9.8 mt -81.32 -25.44 36.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.909 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -81.62 -30.82 32.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.071 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.697 HD12 ' N ' ' D' ' 351' ' ' LYS . 4.3 pp -79.3 -25.41 42.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.895 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.697 ' N ' HD12 ' D' ' 350' ' ' LEU . 17.9 ttmt -78.25 -30.17 48.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.837 179.879 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.67 -30.95 46.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.72 -32.5 46.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -82.15 -31.09 30.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -104.93 127.62 52.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.52 -179.971 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.794 0.331 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 60.62 111.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 328' ' ' PHE . 4.7 m-85 -125.21 105.11 8.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.54 152.86 24.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.857 HD23 HD11 ' A' ' 332' ' ' ILE . 17.3 tp -155.88 117.65 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -103.05 83.8 2.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.857 HD11 HD23 ' A' ' 330' ' ' LEU . 3.8 mp -84.56 138.03 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 8.2 ptt85 -95.97 61.08 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -159.49 107.4 0.32 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.422 ' CD ' ' CZ ' ' B' ' 328' ' ' PHE . 15.7 tpt85 -60.39 -49.78 76.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.88 -46.68 83.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.505 ' CG ' HD13 ' B' ' 348' ' ' LEU . 5.1 ttm180 -57.11 -43.91 82.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.799 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.47 ' CE2' HD22 ' B' ' 330' ' ' LEU . 11.7 t80 -60.32 -47.26 86.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.413 179.752 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -54.2 -35.24 62.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.633 179.755 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -65.44 -58.85 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.224 179.478 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.441 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 4.9 m-85 -59.72 -30.52 68.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.946 179.756 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -68.69 -36.89 79.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.93 0.395 . . . . 0.0 110.242 179.488 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.93 -29.36 39.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.217 179.306 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.58 HD21 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -76.82 -31.09 56.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.646 179.582 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -76.28 -41.1 49.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.764 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -75.88 -29.95 58.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.732 179.802 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.58 -30.72 36.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.011 179.78 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.739 HD12 ' HD2' ' B' ' 337' ' ' ARG . 16.3 mt -79.39 -27.3 41.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 179.801 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -77.46 -28.4 52.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.77 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 5.8 mt -73.76 -38.88 64.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -66.38 -30.51 70.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.53 -31.79 73.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.887 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.47 -31.04 60.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.51 -33.42 60.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -120.59 30.97 6.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.522 179.963 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.841 0.353 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 60.34 109.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.422 ' CZ ' ' CD ' ' A' ' 335' ' ' ARG . 15.5 m-85 -132.11 136.96 47.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.95 148.24 31.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.471 ' CD2' HD11 ' B' ' 332' ' ' ILE . 32.1 tp -155.42 113.17 3.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -89.32 98.16 11.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.471 HD11 ' CD2' ' B' ' 330' ' ' LEU . 25.7 mm -84.86 118.02 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -91.07 62.12 4.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -174.5 126.82 1.23 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.86 -40.87 83.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -76.17 -45.65 32.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.739 ' HD2' HD12 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -58.56 -51.17 71.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 179.801 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.665 ' CE2' HD13 ' A' ' 330' ' ' LEU . 6.3 t80 -62.73 -42.97 99.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.079 179.346 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -57.66 -32.61 67.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.414 179.485 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.15 -60.62 2.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.173 179.342 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.492 ' HA ' HD12 ' B' ' 344' ' ' LEU . 5.3 m-85 -59.12 -27.08 65.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.798 179.556 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 26.9 ttt-85 -67.37 -39.24 85.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.198 179.371 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -77.66 -30.98 52.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.241 179.314 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.674 ' O ' HD12 ' B' ' 348' ' ' LEU . 9.8 mt -74.5 -30.27 61.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.515 179.554 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -73.86 -44.48 55.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.721 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -72.85 -30.54 64.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.708 179.779 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.43 -30.47 47.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.008 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.736 HD23 ' HD3' ' B' ' 351' ' ' LYS . 1.4 mt -77.1 -29.66 54.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.917 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.65 -29.43 61.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.831 179.855 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 11.8 mt -72.42 -41.38 66.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.736 ' HD3' HD23 ' B' ' 348' ' ' LEU . 6.8 ptmm? -64.54 -30.47 71.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.739 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.51 -33.05 74.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 179.887 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.57 -30.64 69.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.045 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -110.99 28.47 8.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.958 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.35 109.34 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.376 -1.235 . . . . 0.0 112.504 179.996 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' C' C ' 326' ' ' GLU . . . . . 0.436 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 14.6 mt-10 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.841 0.353 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -95.98 109.29 21.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.436 ' CZ ' ' HB3' ' C' ' 326' ' ' GLU . 25.3 m-85 -98.27 100.36 11.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.851 HG23 ' HG3' ' D' ' 331' ' ' GLN . 0.2 OUTLIER -70.81 139.55 50.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.969 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.831 HD23 HD11 ' C' ' 332' ' ' ILE . 13.5 tp -136.24 94.41 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -71.32 84.14 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.831 HD11 HD23 ' C' ' 330' ' ' LEU . 4.7 mt -89.08 134.29 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -96.85 40.89 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.16 116.48 1.47 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.458 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -65.17 -37.32 87.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.51 -47.24 34.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.747 ' CG ' HD13 ' D' ' 348' ' ' LEU . 6.6 mtm180 -56.57 -47.65 79.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.723 179.868 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -59.47 -46.21 89.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.414 179.61 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -54.8 -34.34 62.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.625 179.671 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.599 ' CE ' HD11 ' D' ' 348' ' ' LEU . 4.7 mtm -66.41 -59.22 3.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.268 179.442 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.423 ' HA ' HD12 ' C' ' 344' ' ' LEU . 5.3 m-85 -59.73 -28.82 67.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.757 179.638 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 11.6 ttp85 -66.81 -35.46 80.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.952 0.406 . . . . 0.0 110.212 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -80.58 -31.56 36.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.287 179.351 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.644 ' O ' HD12 ' C' ' 348' ' ' LEU . 13.7 mt -76.93 -29.07 55.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.572 179.509 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -76.92 -41.18 44.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.687 179.827 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.574 ' O ' HD12 ' C' ' 350' ' ' LEU . 1.6 tt0 -74.73 -30.42 61.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.757 179.839 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.496 ' HB2' ' HD2' ' B' ' 351' ' ' LYS . . . -79.08 -30.43 43.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.044 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.644 HD12 ' O ' ' C' ' 344' ' ' LEU . 2.6 mt -79.14 -28.75 42.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -80.94 -30.49 35.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.757 179.799 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.574 HD12 ' O ' ' C' ' 346' ' ' GLU . 2.4 mt -79.43 -33.42 42.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 179.818 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -28.81 55.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 179.845 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.11 -30.95 58.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.93 65.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.037 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -75.89 -44.79 38.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -96.91 112.9 24.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.501 -179.985 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.771 0.32 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 60.23 109.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -128.04 111.26 13.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 4.3 m -85.99 108.13 18.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.585 HD22 HG13 ' D' ' 332' ' ' ILE . 1.4 tt -108.86 110.54 21.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.851 ' HG3' HG23 ' C' ' 329' ' ' THR . 4.4 mt-30 -83.51 84.52 7.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.585 HG13 HD22 ' D' ' 330' ' ' LEU . 3.6 mp -70.26 127.48 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -99.81 75.17 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.23 139.84 4.1 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 10.0 tpt85 -75.38 -56.48 4.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.762 0.315 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -68.4 -42.97 78.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.505 ' CG ' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -57.84 -49.31 77.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.71 179.861 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.434 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 10.2 t80 -59.58 -46.27 89.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.337 179.603 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.43 -34.14 64.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.638 179.665 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.1 ttm -66.29 -58.38 5.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.296 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.417 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 3.3 m-85 -60.56 -29.94 69.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.797 179.692 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -68.34 -38.25 81.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.194 179.446 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -77.49 -32.23 54.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.31 179.334 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.682 ' O ' HD12 ' D' ' 348' ' ' LEU . 79.6 mt -74.27 -30.63 62.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.496 179.558 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.551 ' OD1' HG23 ' C' ' 332' ' ' ILE . 1.4 t30 -72.7 -43.88 62.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.679 179.679 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -71.2 -36.25 71.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.775 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.05 -26.58 59.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.772 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.747 HD13 ' CG ' ' C' ' 337' ' ' ARG . 1.5 mt -75.39 -34.97 61.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.56 -26.63 65.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.974 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 8.0 mt -71.79 -46.02 59.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.989 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -62.94 -29.71 71.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.11 -31.7 72.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.55 -31.13 70.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -77.52 -39.85 44.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -93.37 177.95 5.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.448 -179.992 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.851 0.358 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.426 ' CE2' ' HG3' ' B' ' 333' ' ' ARG . 5.8 m-85 61.21 112.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -123.65 97.93 5.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.41 HG23 ' HG3' ' B' ' 331' ' ' GLN . 0.2 OUTLIER -65.42 128.05 34.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.438 ' O ' HD12 ' A' ' 332' ' ' ILE . 9.2 tp -131.94 114.2 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.469 ' HG3' HG23 ' B' ' 329' ' ' THR . 2.8 mp0 -81.45 134.09 35.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.438 HD12 ' O ' ' A' ' 330' ' ' LEU . 3.5 mp -136.77 135.27 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.48 33.31 2.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.432 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -136.51 120.63 2.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -70.6 -40.03 73.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.12 -57.75 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.472 ' HB3' HD13 ' B' ' 348' ' ' LEU . 12.8 ptp180 -55.32 -46.64 76.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.72 179.847 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.523 ' CE2' HD12 ' B' ' 330' ' ' LEU . 3.9 t80 -60.75 -39.78 89.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.326 179.612 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.9 -39.24 77.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.63 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.8 ttm -63.8 -55.58 21.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.432 179.646 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.47 -32.57 71.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.726 179.716 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.412 ' HD3' ' CZ ' ' A' ' 338' ' ' PHE . 28.8 tpt85 -65.18 -34.9 79.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.955 0.407 . . . . 0.0 110.242 179.483 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -79.86 -31.56 40.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.271 179.378 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.636 ' CG ' HD21 ' D' ' 344' ' ' LEU . 0.9 OUTLIER -75.32 -30.42 60.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.524 179.618 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -75.21 -43.13 53.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.61 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.68 -31.7 67.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.677 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.856 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -73.82 -31.39 63.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.96 179.762 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.415 HD13 ' HB3' ' B' ' 337' ' ' ARG . 32.4 mt -72.13 -39.5 68.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.771 179.865 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -69.12 -31.22 69.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.03 -38.73 72.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -66.0 -37.0 84.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -68.12 -34.34 76.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.15 -31.19 62.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -73.96 -31.56 63.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -102.85 110.08 21.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.098 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.351 -1.25 . . . . 0.0 112.482 -179.999 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.805 0.335 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 62.38 149.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -147.63 104.9 3.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.469 HG23 ' HG3' ' A' ' 331' ' ' GLN . 0.8 OUTLIER -76.75 112.77 13.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.523 HD12 ' CE2' ' A' ' 338' ' ' PHE . 2.1 tt -106.72 104.74 14.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.41 ' HG3' HG23 ' A' ' 329' ' ' THR . 11.9 mt-30 -76.62 102.62 6.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.516 HD12 ' O ' ' B' ' 330' ' ' LEU . 3.4 mp -97.12 118.51 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.426 ' HG3' ' CE2' ' A' ' 327' ' ' TYR . 4.3 mtp180 -92.15 75.27 5.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 179.898 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 170.13 134.87 1.81 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.514 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 22.3 ttp85 -75.59 -32.11 60.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -73.61 -58.87 3.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.415 ' HB3' HD13 ' A' ' 348' ' ' LEU . 3.7 ptp180 -55.79 -41.12 73.64 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.435 ' CE2' HD13 ' A' ' 330' ' ' LEU . 3.8 t80 -63.22 -39.51 94.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.305 179.687 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -57.9 -40.39 80.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.656 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -63.16 -54.91 30.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.481 179.676 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -61.79 -32.56 72.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.752 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -38.54 83.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.293 179.495 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -77.51 -31.8 53.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.305 179.448 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.754 HD21 HD23 ' C' ' 344' ' ' LEU . 88.0 mt -75.01 -29.55 60.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.649 179.574 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -74.75 -42.42 58.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.754 179.802 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -71.04 -32.58 69.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.751 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.61 -31.91 63.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.967 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.472 HD13 ' HB3' ' A' ' 337' ' ' ARG . 13.6 mt -72.05 -37.68 69.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 179.869 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -66.67 -30.46 70.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 33.2 mt -66.95 -41.21 87.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -60.26 -31.53 70.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.2 -33.79 72.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.32 -33.91 75.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -84.83 -31.58 23.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.97 -51.42 47.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.036 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.027 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.514 -179.998 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.831 0.348 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -77.71 123.98 27.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -107.01 97.57 7.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 2.0 m -67.82 104.95 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 40.6 tp -111.23 116.23 30.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -97.84 115.88 28.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -117.0 145.84 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.423 ' HD3' ' CE1' ' D' ' 327' ' ' TYR . 13.3 ttp85 -97.35 69.3 2.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -172.96 120.61 0.82 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.465 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -69.25 -32.3 71.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -77.65 -50.88 11.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.49 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -56.54 -47.53 79.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.757 179.826 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.843 ' CE2' HD13 ' D' ' 330' ' ' LEU . 8.1 t80 -62.46 -44.58 96.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.159 179.427 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -56.05 -32.34 63.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.458 179.498 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.478 ' O ' HD12 ' C' ' 344' ' ' LEU . 2.2 ttp -67.2 -61.81 1.73 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.074 179.27 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.49 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 6.0 m-85 -59.64 -27.56 66.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.532 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -33.85 74.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.915 0.388 . . . . 0.0 110.135 179.373 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -78.68 -32.74 47.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.297 179.437 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.754 HD23 HD21 ' B' ' 344' ' ' LEU . 4.3 mp -73.77 -33.87 64.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.429 179.588 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -71.0 -42.69 69.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.534 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -66.88 -37.42 84.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.647 179.753 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.86 -35.28 80.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' C' ' 348' ' ' LEU . 0.7 OUTLIER -65.58 -45.07 84.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.678 179.859 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -59.99 -31.63 70.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.8 mp -67.87 -45.45 74.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -60.39 -31.68 70.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.75 -31.56 66.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.67 -31.45 68.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -67.33 -33.42 75.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -116.02 93.71 4.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.499 -179.98 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.824 0.345 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.423 ' CE1' ' HD3' ' C' ' 333' ' ' ARG . 0.7 OUTLIER -158.72 140.07 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -136.45 128.44 29.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.36 141.45 28.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.843 HD13 ' CE2' ' C' ' 338' ' ' PHE . 11.0 tp -140.57 107.41 5.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -91.61 101.21 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.514 HD11 HD23 ' D' ' 330' ' ' LEU . 3.5 mp -98.61 120.27 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -82.94 76.25 9.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.89 133.97 1.86 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -74.37 -33.97 63.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.64 -45.21 22.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.969 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.459 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 2.2 tpp180 -58.23 -50.2 74.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.715 179.825 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -62.13 -44.32 96.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.106 179.423 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -56.87 -32.54 65.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.448 179.479 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.3 ttp -66.82 -60.23 2.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.237 179.399 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.459 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.4 m-85 -59.34 -28.57 66.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.777 179.524 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -66.47 -36.59 83.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.095 179.301 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.03 -32.72 57.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.311 179.429 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.817 ' O ' HD23 ' D' ' 348' ' ' LEU . 1.0 OUTLIER -72.55 -30.56 64.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.54 179.562 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -72.83 -45.65 57.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.729 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -69.6 -31.84 70.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.798 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.856 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -74.66 -32.41 62.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.036 179.87 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.817 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.3 mm? -72.19 -34.44 68.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.95 -31.69 68.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -71.18 -34.22 70.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -66.39 -35.82 81.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.85 -31.55 72.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.24 -40.22 62.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -74.89 -31.56 61.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -134.7 80.72 1.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.066 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.517 179.97 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.81 0.338 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -132.55 151.52 51.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.438 ' CZ ' ' HD3' ' B' ' 335' ' ' ARG . 40.1 m-85 -152.8 100.78 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 6.8 m -72.0 137.97 47.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.444 ' CD2' HD11 ' A' ' 332' ' ' ILE . 43.5 tp -137.53 109.45 7.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -89.87 98.63 11.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.559 HG22 ' H ' ' A' ' 334' ' ' GLY . 26.3 mm -81.71 128.38 38.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.71 30.93 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.559 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -138.94 123.95 2.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.59 -43.3 99.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.341 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -75.23 -51.83 12.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -56.09 -41.98 76.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.704 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.429 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 12.2 t80 -62.04 -47.79 83.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.375 179.613 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -54.61 -33.95 61.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.691 179.73 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.498 ' O ' HD12 ' A' ' 344' ' ' LEU . 2.8 mtp -66.29 -58.04 6.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.336 179.537 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.414 ' HB3' ' CG ' ' B' ' 341' ' ' PHE . 3.1 m-85 -60.95 -30.62 70.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.807 179.713 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.48 -37.74 80.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.421 . . . . 0.0 110.22 179.468 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -78.77 -30.9 45.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.201 179.317 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.696 ' CG ' HD21 ' D' ' 344' ' ' LEU . 1.0 OUTLIER -75.1 -31.55 61.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.546 179.525 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.444 ' OD1' HD13 ' B' ' 332' ' ' ILE . 4.4 t30 -73.59 -43.05 60.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.719 179.817 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.455 ' O ' HD23 ' A' ' 350' ' ' LEU . 5.6 tt0 -73.16 -31.62 64.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.687 179.794 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.556 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -77.26 -31.54 55.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.856 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.665 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.6 OUTLIER -74.94 -31.42 61.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.754 179.848 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -70.43 -30.72 67.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.81 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 346' ' ' GLU . 2.3 mm? -65.81 -36.98 85.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -59.7 -38.57 81.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.91 -38.48 85.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.17 -31.47 62.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -78.74 -31.47 46.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -94.58 -74.1 0.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.507 -179.968 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.811 0.339 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -84.76 152.9 23.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.429 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 23.4 m-85 -142.67 103.23 4.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.3 m -63.06 148.97 46.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.463 HD23 HD11 ' B' ' 332' ' ' ILE . 11.1 tp -148.23 94.35 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -82.36 127.25 33.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.466 HD13 ' HE1' ' B' ' 341' ' ' PHE . 22.6 mt -134.88 152.48 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -105.19 36.42 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.77 125.12 4.02 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.438 ' HD3' ' CZ ' ' A' ' 328' ' ' PHE . 14.3 tpt180 -73.08 -39.35 65.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -74.17 -42.32 60.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.571 ' HG3' HD13 ' A' ' 348' ' ' LEU . 6.3 ttm180 -57.88 -49.53 76.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.711 179.882 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.444 ' CE2' HD13 ' A' ' 330' ' ' LEU . 10.2 t80 -59.65 -46.42 89.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.36 179.644 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -55.87 -33.03 64.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.59 179.699 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.4 ttp -67.0 -58.67 4.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.337 179.457 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.466 ' HE1' HD13 ' B' ' 332' ' ' ILE . 3.4 m-85 -61.06 -29.65 69.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.689 179.677 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -68.17 -37.23 80.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.214 179.355 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.4 -33.9 54.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.143 179.318 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.81 ' O ' HD23 ' B' ' 348' ' ' LEU . 0.5 OUTLIER -71.12 -29.73 65.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.359 179.416 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -72.34 -49.39 34.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.619 179.695 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.33 -28.9 69.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.826 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.672 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -72.86 -36.07 67.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.064 179.926 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.81 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.7 mm? -69.28 -37.34 77.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.821 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.29 -30.94 66.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 16.2 mt -72.48 -37.9 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.57 ' HE3' ' HB2' ' C' ' 347' ' ' ALA . 19.8 mttm -67.07 -31.5 72.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.85 -31.67 61.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.16 -32.48 64.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -72.35 -32.62 66.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -91.73 177.57 6.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.435 -1.203 . . . . 0.0 112.479 179.997 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.833 0.349 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 60.53 111.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.403 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 6.6 m-85 -127.76 103.91 7.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.534 HG22 ' CG2' ' D' ' 329' ' ' THR . 0.2 OUTLIER -63.12 103.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.955 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.654 HD13 ' CE2' ' D' ' 338' ' ' PHE . 7.0 tp -100.04 117.14 33.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -91.05 114.22 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.593 HG23 ' OD1' ' D' ' 345' ' ' ASN . 3.9 mp -109.37 141.29 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.094 -179.906 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -106.06 73.12 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.18 130.2 1.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -30.57 63.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -74.14 -55.24 6.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -55.62 -40.14 71.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.712 179.867 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -63.31 -47.51 81.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.335 179.553 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -54.63 -33.83 61.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.666 179.708 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.6 mmm -66.4 -58.43 5.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.323 179.519 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.408 ' CD2' ' CD1' ' D' ' 341' ' ' PHE . 4.1 m-85 -59.96 -29.59 68.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.819 179.677 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -36.44 81.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.179 179.365 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -79.01 -32.01 44.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.273 179.345 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.826 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.8 OUTLIER -75.0 -30.27 61.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.528 179.538 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -74.66 -42.78 57.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.697 179.801 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.454 ' O ' HD23 ' C' ' 350' ' ' LEU . 3.9 mt-10 -70.93 -32.55 69.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.748 179.763 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.672 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -73.43 -32.97 64.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.826 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.3 mm? -70.88 -37.62 73.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.675 179.883 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.73 -31.24 72.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.454 HD23 ' O ' ' C' ' 346' ' ' GLU . 2.8 mm? -67.01 -46.3 74.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.822 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 11.2 mttt -60.07 -36.01 76.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.87 -32.13 72.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.36 -31.12 62.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.06 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -72.94 -34.41 66.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -88.44 112.73 23.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.483 179.997 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.775 0.322 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -146.84 97.05 2.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -84.61 99.5 10.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.534 ' CG2' HG22 ' C' ' 329' ' ' THR . 14.7 m -73.99 135.61 43.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.522 HD23 HD11 ' D' ' 332' ' ' ILE . 19.4 tp -134.31 103.33 5.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -70.38 111.14 5.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.548 HG22 ' H ' ' D' ' 334' ' ' GLY . 28.4 mm -96.52 130.04 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.53 30.83 3.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.548 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -147.33 119.32 1.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -32.18 70.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 0.0 110.934 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -75.43 -52.78 9.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttm105 -56.9 -38.86 73.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.649 179.824 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.654 ' CE2' HD13 ' C' ' 330' ' ' LEU . 12.1 t80 -63.29 -48.0 79.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.381 179.627 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.45 -33.44 59.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.656 179.682 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.0 ttm -66.84 -58.96 4.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.313 179.473 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.408 ' CD1' ' CD2' ' C' ' 341' ' ' PHE . 3.5 m-85 -61.1 -29.62 69.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.73 179.596 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 28.2 ttp85 -68.66 -35.57 77.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.968 0.413 . . . . 0.0 110.174 179.398 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -80.05 -31.28 39.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.191 179.306 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.8 ' O ' HD23 ' D' ' 348' ' ' LEU . 0.5 OUTLIER -75.13 -31.3 61.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.488 179.484 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.593 ' OD1' HG23 ' C' ' 332' ' ' ILE . 44.5 t30 -74.73 -43.47 54.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.613 179.794 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -71.05 -30.8 67.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.812 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.556 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -76.22 -34.53 59.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 179.892 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.8 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.6 mm? -72.25 -30.75 65.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 179.774 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -73.49 -44.05 58.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.824 HD12 ' N ' ' D' ' 351' ' ' LYS . 4.3 pp -69.58 -31.47 69.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.918 0.389 . . . . 0.0 110.503 179.809 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.824 ' N ' HD12 ' D' ' 350' ' ' LEU . 3.8 mtpt -72.43 -42.3 65.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.436 179.613 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.03 -31.41 72.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.842 179.886 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.73 87.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -69.95 -32.61 70.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -117.44 92.74 3.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.501 -179.99 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.823 0.344 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.432 ' CZ ' ' HG2' ' B' ' 333' ' ' ARG . 52.2 m-85 60.9 112.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.426 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 8.2 m-85 -127.61 112.36 14.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.94 132.44 53.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.846 HD13 ' CE1' ' B' ' 338' ' ' PHE . 15.7 tp -135.52 116.55 14.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -103.76 119.11 38.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 27.5 mm -111.37 152.25 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -110.69 37.68 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -144.23 129.53 3.64 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 -64.55 -66.54 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -59.68 -37.62 79.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.831 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.679 ' NE ' HD11 ' B' ' 348' ' ' LEU . 1.5 tpt180 -59.5 -51.5 69.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.647 179.82 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.783 ' CZ ' HD13 ' B' ' 330' ' ' LEU . 10.1 t80 -60.76 -46.85 88.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.111 179.499 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -55.66 -32.2 63.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.402 179.478 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.9 ttp -66.74 -60.9 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.1 179.35 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.573 ' HE1' HD22 ' B' ' 344' ' ' LEU . 4.0 m-85 -60.15 -29.17 68.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 179.575 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.13 -41.87 69.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.077 179.283 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -75.61 -30.64 59.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.18 179.198 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.917 HD21 HD22 ' D' ' 344' ' ' LEU . 3.6 tp -72.73 -30.88 64.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.465 179.552 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -72.43 -46.9 52.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.642 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.45 -24.77 61.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.848 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.419 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . . . -83.55 -27.52 29.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 179.859 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.886 HD13 ' HD3' ' A' ' 351' ' ' LYS . 3.6 mm? -81.38 -27.7 34.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.004 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -81.09 -29.28 34.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.188 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.783 HD12 ' N ' ' A' ' 351' ' ' LYS . 4.1 pp -80.9 -28.51 35.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.886 ' HD3' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -78.33 -29.2 47.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.821 0.344 . . . . 0.0 110.641 179.725 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.61 -31.02 67.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.663 179.774 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.34 -30.88 71.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.984 179.795 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -111.07 27.65 9.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.58 -48.35 13.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.156 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.351 -1.249 . . . . 0.0 112.576 179.974 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.809 0.338 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -133.42 152.9 51.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -137.39 122.8 19.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.1 153.04 26.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.783 HD13 ' CZ ' ' A' ' 338' ' ' PHE . 7.5 tp -155.12 112.12 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -87.07 84.46 7.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.453 HD11 HD23 ' B' ' 330' ' ' LEU . 29.2 mm -75.47 109.76 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.432 ' HG2' ' CZ ' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -65.28 -30.62 71.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.959 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -75.14 133.89 15.86 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.563 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -74.14 -57.15 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.1 -38.45 83.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.459 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 1.2 tpp180 -59.74 -51.74 68.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.755 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.846 ' CE1' HD13 ' A' ' 330' ' ' LEU . 8.0 t80 -59.55 -44.28 93.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.273 179.562 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.44 -34.99 64.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.533 179.529 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.93 -60.07 3.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.22 179.413 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.459 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 4.2 m-85 -60.67 -28.43 68.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.609 179.59 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -32.84 74.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.102 179.289 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -77.99 -32.7 51.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.317 179.381 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.632 HD21 HD21 ' C' ' 344' ' ' LEU . 3.2 mp -73.04 -37.45 66.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.437 179.58 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -69.06 -40.66 78.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.608 179.804 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.732 ' O ' HD23 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -66.8 -34.96 78.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.656 179.749 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.582 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -65.39 -40.37 93.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.84 179.791 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.679 HD11 ' NE ' ' A' ' 337' ' ' ARG . 8.6 mt -63.12 -44.37 95.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.82 179.836 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -62.15 -31.43 71.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.732 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.7 mm? -74.41 -32.87 62.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.85 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -30.91 67.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -69.87 -31.89 69.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.07 -38.49 79.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -63.91 -33.69 76.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.72 179.15 4.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.519 -179.958 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.826 0.346 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 61.29 112.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.409 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 5.4 m-85 -126.12 113.41 17.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.55 104.39 11.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.664 HD13 ' CE1' ' D' ' 338' ' ' PHE . 23.1 tp -95.01 114.38 26.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -88.61 97.17 10.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.541 HD11 HD23 ' C' ' 330' ' ' LEU . 3.3 mp -96.14 126.3 48.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -98.75 33.82 2.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.488 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -136.67 115.62 1.3 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.0 ptt-85 -61.22 -35.98 78.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -74.32 -54.46 7.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.552 ' CG ' HD13 ' D' ' 348' ' ' LEU . 2.5 mtm105 -55.43 -42.34 74.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.668 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -61.0 -45.7 93.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.391 179.659 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -54.08 -36.66 63.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.64 179.712 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -65.39 -59.35 4.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.259 179.39 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.481 ' CD1' ' CD2' ' D' ' 341' ' ' PHE . 4.5 m-85 -58.96 -27.28 65.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.708 179.588 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -39.01 88.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.99 0.424 . . . . 0.0 110.138 179.373 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.69 -32.55 57.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.27 179.394 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.632 HD21 HD21 ' B' ' 344' ' ' LEU . 1.3 mt -73.39 -29.78 62.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.506 179.508 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.434 ' ND2' HD21 ' D' ' 330' ' ' LEU . 23.5 m-20 -72.96 -45.12 59.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.707 179.806 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.442 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.6 mm-40 -71.32 -33.91 70.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.742 179.855 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.582 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -76.5 -29.65 56.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.998 179.817 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.763 HD13 ' HD3' ' D' ' 337' ' ' ARG . 9.9 mt -76.24 -29.44 57.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -77.38 -32.06 54.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.823 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.442 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.7 mm? -77.16 -37.97 52.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.808 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.04 -28.77 57.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.864 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -78.82 -30.55 45.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 179.88 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.32 -30.81 57.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.062 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -74.26 -31.7 62.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.05 36.6 1.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.463 179.995 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.791 0.329 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 60.66 102.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -111.43 99.26 8.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 30.4 m -68.41 128.89 38.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.434 HD21 ' ND2' ' C' ' 345' ' ' ASN . 53.0 tp -127.39 110.76 13.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -85.58 123.79 31.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.653 HG21 ' HG2' ' D' ' 337' ' ' ARG . 4.6 mt -125.15 137.39 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -97.86 36.41 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.28 120.32 2.18 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -59.95 4.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 110.937 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -59.86 -33.86 72.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.763 ' HD3' HD13 ' C' ' 348' ' ' LEU . 6.5 ttp180 -60.93 -54.0 50.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.647 179.76 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.664 ' CE1' HD13 ' C' ' 330' ' ' LEU . 8.6 t80 -61.02 -45.56 94.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.062 179.399 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -56.78 -31.55 64.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.351 179.421 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.3 ttp -67.1 -60.71 2.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.213 179.342 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.481 ' CD2' ' CD1' ' C' ' 341' ' ' PHE . 3.6 m-85 -60.97 -28.57 69.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.776 179.606 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -70.66 -37.71 73.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.939 0.399 . . . . 0.0 110.25 179.45 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -79.01 -31.28 44.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.289 179.292 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.917 HD22 HD21 ' A' ' 344' ' ' LEU . 66.1 mt -76.04 -29.35 58.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.578 179.564 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -75.67 -42.12 52.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.639 179.772 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -71.76 -32.58 67.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.699 179.828 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.47 -34.11 63.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.7 HD12 ' O ' ' D' ' 344' ' ' LEU . 0.4 OUTLIER -71.14 -34.18 70.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.691 179.825 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -66.01 -30.24 70.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.6 mp -62.74 -40.55 97.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -59.26 -39.97 84.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.52 -32.95 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.04 -31.21 61.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.067 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -74.61 -32.79 62.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -104.6 -67.99 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.472 -179.993 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.866 0.365 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.4 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 12.9 m-85 -133.33 109.31 9.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -106.36 100.66 10.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.12 150.99 47.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.8 HD13 ' CE1' ' B' ' 338' ' ' PHE . 14.1 tp -152.79 106.57 3.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -84.55 119.63 25.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 28.0 mm -115.8 121.69 67.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.44 ' HG2' ' CE2' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -64.98 -30.87 71.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 179.937 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -70.84 131.51 21.14 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.526 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.425 ' HG3' ' CZ ' ' B' ' 328' ' ' PHE . 11.4 ttp180 -75.35 -57.63 3.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -61.67 -39.31 90.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.775 ' NE ' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -59.76 -51.91 67.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.754 179.894 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.448 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 7.7 t80 -59.99 -43.86 94.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.288 179.559 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.51 -34.06 66.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.416 179.557 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.8 tpp -66.63 -60.77 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.104 179.342 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.449 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 3.8 m-85 -61.03 -28.54 69.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.792 179.546 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -70.29 -38.09 74.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.958 0.409 . . . . 0.0 110.032 179.361 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.02 -30.36 61.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.099 179.153 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.861 HD21 HD11 ' D' ' 344' ' ' LEU . 0.1 OUTLIER -71.97 -42.49 66.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.476 179.537 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -65.0 -38.75 91.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.737 179.856 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -70.45 -30.89 67.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.48 -31.8 67.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.4 mm? -72.31 -44.38 62.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 179.927 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -68.02 -28.24 67.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.49 -37.55 65.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -69.59 -32.35 71.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.54 -34.22 72.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.35 -31.01 70.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.068 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -81.24 -32.66 33.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -66.4 114.96 5.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.435 -1.203 . . . . 0.0 112.513 -179.983 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.83 0.348 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.44 ' CE2' ' HG2' ' A' ' 333' ' ' ARG . 13.0 m-85 -94.84 152.92 17.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.448 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 19.5 m-85 -135.86 107.83 7.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 4.2 m -69.82 125.63 27.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 19.2 tp -111.64 110.28 20.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -90.29 88.05 7.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.426 HG21 ' HB3' ' B' ' 337' ' ' ARG . 4.0 mt -85.41 149.52 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 6.0 ttt180 -117.13 42.99 2.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -155.36 137.16 5.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.74 -41.14 68.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -74.74 -40.33 61.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.782 179.878 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.452 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 2.0 tpp180 -59.26 -51.39 70.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.623 179.803 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.8 ' CE1' HD13 ' A' ' 330' ' ' LEU . 8.9 t80 -61.09 -45.64 93.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.169 179.464 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.33 -32.4 64.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.483 179.542 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttm -66.57 -59.84 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.193 179.351 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.452 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 5.5 m-85 -59.48 -30.86 68.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.726 179.614 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -65.97 -39.61 90.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.984 0.421 . . . . 0.0 109.938 179.288 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -74.71 -29.83 61.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.905 178.955 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 1.007 HD12 HD11 ' B' ' 348' ' ' LEU . 0.1 OUTLIER -71.9 -44.07 64.34 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.457 179.459 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -65.36 -38.68 90.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.802 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -73.24 -37.35 66.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.761 179.822 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.58 -30.25 61.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.969 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 1.007 HD11 HD12 ' B' ' 344' ' ' LEU . 21.0 mt -75.6 -30.75 59.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.824 179.876 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -71.81 -29.17 64.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.14 -38.74 78.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -62.7 -39.01 92.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.24 -38.24 88.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.61 -31.9 72.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.05 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -62.35 -32.24 72.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -131.01 83.42 2.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.495 -179.956 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.811 0.339 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.404 ' CZ ' ' HG3' ' D' ' 333' ' ' ARG . 26.3 m-85 -128.25 109.61 11.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -97.98 98.94 10.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.446 HG23 ' HG3' ' D' ' 331' ' ' GLN . 13.7 m -74.25 120.32 19.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.676 HD23 HD11 ' C' ' 332' ' ' ILE . 22.3 tp -107.47 123.97 49.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -98.71 85.81 3.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.676 HD11 HD23 ' C' ' 330' ' ' LEU . 3.7 mp -83.26 126.64 40.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -98.76 30.94 3.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.574 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -126.74 136.68 9.56 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.443 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -74.44 -51.11 15.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -73.96 -47.68 35.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.991 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -56.7 -44.1 81.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.76 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.43 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 12.5 t80 -61.15 -48.09 83.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.38 179.634 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -54.95 -32.96 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.696 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 3.7 ttp -67.01 -57.3 7.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.399 179.576 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.531 ' HE1' HD22 ' D' ' 344' ' ' LEU . 2.2 m-85 -61.63 -30.74 70.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.709 179.649 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -67.81 -36.84 81.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.231 179.442 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -77.06 -31.76 56.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.271 179.349 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.755 HD21 ' CD2' ' B' ' 344' ' ' LEU . 0.1 OUTLIER -74.2 -35.48 63.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.656 179.592 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -71.07 -38.63 72.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.758 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.79 -33.38 72.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.63 -37.39 76.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.046 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.691 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.1 mm? -67.82 -39.84 83.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -64.93 -31.33 72.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.5 mt -71.92 -40.81 68.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -66.66 -31.52 72.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -67.36 -33.44 75.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.12 -31.7 68.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -89.39 -40.25 12.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . 59.98 107.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.498 -179.998 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 10.9 pm0 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.835 0.35 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -96.76 153.08 18.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.43 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 26.1 m-85 -139.9 109.97 6.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 2.4 m -86.53 142.54 28.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.928 HD23 HD11 ' D' ' 332' ' ' ILE . 9.9 tp -141.98 105.95 4.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.446 ' HG3' HG23 ' C' ' 329' ' ' THR . 33.1 mt-30 -87.3 110.4 20.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.928 HD11 HD23 ' D' ' 330' ' ' LEU . 4.5 mt -115.0 144.86 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.06 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.404 ' HG3' ' CZ ' ' C' ' 327' ' ' TYR . 4.7 ttp180 -98.46 35.69 1.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -130.02 122.52 3.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.449 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -45.98 69.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -71.71 -40.63 69.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.462 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 1.9 tpp180 -59.35 -51.59 69.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.626 179.849 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.509 ' CE2' HD13 ' C' ' 330' ' ' LEU . 8.3 t80 -61.0 -44.71 97.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.161 179.501 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -56.84 -32.43 65.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.461 179.57 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.5 ttm -67.03 -59.85 3.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.225 179.398 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.462 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.1 m-85 -59.92 -29.27 68.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.74 179.595 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -67.05 -39.56 86.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.013 179.266 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -76.2 -32.75 59.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.171 179.247 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.861 HD11 HD21 ' A' ' 344' ' ' LEU . 0.1 OUTLIER -71.62 -30.39 65.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.394 179.413 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.456 ' OD1' HG23 ' C' ' 332' ' ' ILE . 4.6 t30 -71.43 -48.28 50.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.709 179.737 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.609 ' O ' HD23 ' D' ' 350' ' ' LEU . 40.1 mt-10 -67.9 -31.72 71.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.5 -33.37 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.048 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.406 HD23 HD23 ' D' ' 344' ' ' LEU . 1.6 mm? -72.97 -29.91 63.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 179.921 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -70.81 -31.17 67.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.609 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.9 mm? -68.95 -36.45 77.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -63.12 -32.57 73.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.84 -33.6 68.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.7 -32.2 60.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -78.61 -32.5 47.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -76.6 -175.47 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.512 -179.966 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.842 0.354 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 60.83 111.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -124.98 110.79 14.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 1.2 p -75.23 119.93 20.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 1.029 HD23 HD11 ' A' ' 332' ' ' ILE . 8.0 tp -106.36 113.47 27.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -99.72 101.56 12.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 1.029 HD11 HD23 ' A' ' 330' ' ' LEU . 3.8 mp -97.62 145.09 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 59.8 ttt-85 -98.13 35.04 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -147.12 122.02 1.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -65.02 -31.9 73.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -75.05 -50.61 15.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.719 ' CG ' HD13 ' B' ' 348' ' ' LEU . 6.3 mtm180 -56.75 -43.4 80.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 179.842 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.436 ' CE1' HD13 ' B' ' 330' ' ' LEU . 11.2 t80 -61.1 -46.81 89.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.425 179.673 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -54.71 -34.38 62.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.683 179.671 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.2 ttp -66.59 -58.79 4.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.261 179.465 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -60.08 -28.52 67.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.777 179.625 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -67.61 -36.62 81.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.936 0.398 . . . . 0.0 110.196 179.414 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -78.63 -32.74 47.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.351 179.433 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.78 ' O ' HD23 ' A' ' 348' ' ' LEU . 81.0 mt -76.15 -29.2 57.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.591 179.589 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.485 ' OD1' HG23 ' B' ' 332' ' ' ILE . 16.7 t30 -75.6 -40.06 57.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.743 179.812 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -72.9 -34.08 66.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.781 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.586 ' HB2' ' NZ ' ' D' ' 351' ' ' LYS . . . -75.61 -31.65 59.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 179.876 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.78 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.5 mm? -74.48 -31.61 62.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.752 179.882 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -70.2 -31.67 69.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.869 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.56 -33.15 68.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.798 179.906 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -67.1 -37.56 84.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.813 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.78 -41.44 99.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.17 -34.67 75.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -76.7 -31.55 57.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -139.44 113.55 8.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.394 -1.226 . . . . 0.0 112.486 -179.944 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.796 0.332 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 61.86 115.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -129.39 130.69 46.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.6 m -91.65 137.39 32.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.588 HD23 HD11 ' B' ' 332' ' ' ILE . 15.8 tp -133.04 98.63 4.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -81.21 110.85 17.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.588 HD11 HD23 ' B' ' 330' ' ' LEU . 22.2 mt -118.45 142.77 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -97.57 37.85 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.36 108.46 0.55 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.453 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -60.78 -31.23 70.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.47 -52.51 18.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -56.11 -41.76 75.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.71 179.817 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -61.96 -47.29 85.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.39 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -54.86 -33.91 62.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.654 179.745 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.3 tpp -66.46 -58.38 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.294 179.507 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.531 ' HE1' HD13 ' B' ' 332' ' ' ILE . 3.9 m-85 -60.15 -30.04 69.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.782 179.633 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.15 -35.87 80.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.162 179.471 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.0 -31.99 39.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.241 179.37 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.809 HD22 HD11 ' C' ' 344' ' ' LEU . 17.9 mt -75.9 -30.68 58.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.433 179.531 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.5 ' ND2' HG23 ' A' ' 332' ' ' ILE . 53.0 t-20 -75.47 -42.6 52.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.637 179.727 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -72.52 -31.41 65.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.71 179.779 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.45 -33.01 58.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.996 179.825 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.719 HD13 ' CG ' ' A' ' 337' ' ' ARG . 0.6 OUTLIER -73.66 -31.57 63.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.736 179.837 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -69.79 -31.76 69.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 179.862 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 10.7 mt -67.56 -43.52 80.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -60.23 -31.78 70.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.19 -31.5 70.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.93 -40.16 60.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.85 -30.52 26.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -131.4 137.3 48.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.502 179.989 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 10.0 pm0 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.812 0.339 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.427 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 9.4 m-85 61.59 114.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -130.44 97.7 4.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 4.1 m -64.78 113.7 3.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.706 HD13 ' CE1' ' D' ' 338' ' ' PHE . 14.2 tp -122.65 111.58 16.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -91.24 83.81 5.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.556 ' H ' HD12 ' C' ' 332' ' ' ILE . 3.8 mp -78.27 128.11 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.446 ' CD ' ' CE1' ' D' ' 327' ' ' TYR . 10.7 ttp180 -94.16 71.88 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -174.28 112.13 0.4 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.448 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.5 -31.46 70.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -76.96 -57.86 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.733 ' CG ' HD13 ' D' ' 348' ' ' LEU . 3.9 mtm180 -55.25 -40.65 71.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.721 179.801 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -63.12 -45.68 90.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.368 179.563 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -55.01 -35.05 63.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.634 179.706 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -66.09 -58.98 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.251 179.462 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.443 ' CD2' ' CD1' ' D' ' 341' ' ' PHE . 3.6 m-85 -61.27 -29.63 69.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.746 179.625 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -69.0 -36.56 77.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.199 179.356 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.69 -31.67 41.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.176 179.277 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.809 HD11 HD22 ' B' ' 344' ' ' LEU . 0.1 OUTLIER -75.84 -30.2 58.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.538 179.513 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -75.15 -42.0 57.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.717 179.793 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.29 -31.85 66.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.748 179.863 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.46 -32.75 60.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.944 179.869 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.808 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.5 mm? -72.82 -34.13 66.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.746 179.838 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -68.15 -31.03 70.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.6 mt -66.11 -42.11 89.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -60.93 -31.81 71.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.54 -33.64 69.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.91 -34.83 66.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -71.16 -31.58 67.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.08 106.85 13.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.337 -1.257 . . . . 0.0 112.491 179.993 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.786 0.327 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.446 ' CE1' ' CD ' ' C' ' 333' ' ' ARG . 8.1 m-85 60.34 98.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -103.34 115.85 31.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.79 129.72 40.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 40.0 tp -133.13 108.5 8.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.15 114.58 26.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.418 HG21 ' HD2' ' D' ' 337' ' ' ARG . 3.8 mp -111.35 134.73 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.427 ' HG3' ' CE2' ' C' ' 327' ' ' TYR . 2.2 ttm105 -93.59 61.97 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -170.79 128.94 1.7 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.39 -30.2 61.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.75 0.31 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -77.27 -50.37 13.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.418 ' HD2' HG21 ' D' ' 332' ' ' ILE . 0.0 OUTLIER -56.19 -45.99 79.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.67 179.849 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.706 ' CE1' HD13 ' C' ' 330' ' ' LEU . 10.2 t80 -61.47 -46.69 88.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.242 179.538 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.11 -33.49 62.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.599 179.729 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.7 ttm -66.46 -58.95 4.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.252 179.51 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.443 ' CD1' ' CD2' ' C' ' 341' ' ' PHE . 4.5 m-85 -60.39 -29.75 69.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.709 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.7 -36.29 78.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.949 0.405 . . . . 0.0 110.132 179.451 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -79.42 -31.96 42.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.122 179.314 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.649 ' O ' HD12 ' D' ' 348' ' ' LEU . 0.3 OUTLIER -73.88 -32.35 63.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.34 179.438 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -72.08 -45.22 61.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.637 179.757 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.27 -30.76 63.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.62 179.708 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.21 -28.14 53.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.894 179.722 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.733 HD13 ' CG ' ' C' ' 337' ' ' ARG . 2.0 mt -75.79 -36.94 59.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.789 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.51 -26.46 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.74 -42.48 61.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.046 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.586 ' NZ ' ' HB2' ' A' ' 347' ' ' ALA . 0.0 OUTLIER -68.63 -27.55 66.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.023 -179.938 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -72.82 -33.29 66.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.41 -31.05 48.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.083 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -84.88 -31.37 23.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -95.15 124.64 39.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.498 -179.973 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.771 0.32 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 61.25 113.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -123.63 150.74 43.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.32 110.88 23.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.776 HD13 ' CE1' ' B' ' 338' ' ' PHE . 29.7 tp -103.39 109.9 21.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -98.94 116.4 31.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -116.51 151.76 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -98.88 32.32 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.48 124.81 4.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 70.2 ttt-85 -74.65 -50.45 17.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.767 0.318 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -66.52 -41.41 88.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.493 ' HD2' HD11 ' B' ' 348' ' ' LEU . 5.3 mmt-85 -58.32 -50.11 74.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.795 179.906 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.401 ' CE1' HD13 ' B' ' 330' ' ' LEU . 7.1 t80 -56.24 -43.01 78.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.704 179.906 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -56.17 -39.17 71.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.354 . . . . 0.0 110.48 179.745 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.1 tmm? -66.61 -60.28 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.945 179.163 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.466 ' CE1' HD13 ' B' ' 344' ' ' LEU . 9.3 m-85 -60.71 -22.45 63.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.158 179.605 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -73.29 -34.86 65.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.077 0.465 . . . . 0.0 109.972 179.182 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -76.36 -30.5 57.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.135 179.193 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.795 HD21 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -69.83 -38.79 76.65 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.519 179.629 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.6 ' OD1' HG23 ' B' ' 332' ' ' ILE . 27.4 m-80 -68.48 -45.6 71.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.769 179.865 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.565 ' O ' HD12 ' A' ' 350' ' ' LEU . 52.6 mt-10 -70.84 -32.91 70.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.772 179.822 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.74 -33.52 58.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.801 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.85 HD13 ' HD2' ' B' ' 337' ' ' ARG . 0.4 OUTLIER -73.76 -28.45 61.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.65 179.833 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -70.03 -30.39 67.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.707 179.71 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 346' ' ' GLU . 0.8 OUTLIER -64.04 -42.72 96.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.801 179.896 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -59.94 -44.11 94.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -33.22 74.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.87 -31.15 68.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -67.6 -33.79 75.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.19 33.6 2.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.371 -1.239 . . . . 0.0 112.519 179.985 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.818 0.342 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -128.73 152.88 47.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -139.89 107.36 5.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 2.4 m -72.22 148.25 45.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.401 HD13 ' CE1' ' A' ' 338' ' ' PHE . 18.2 tp -147.03 106.19 3.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.7 83.79 7.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.6 HG23 ' OD1' ' A' ' 345' ' ' ASN . 5.1 mt -81.74 137.75 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.063 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -100.44 74.88 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.32 118.0 0.51 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.531 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -61.68 -40.56 95.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -74.61 -41.13 60.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.85 ' HD2' HD13 ' A' ' 348' ' ' LEU . 1.1 tpp85 -59.43 -51.68 68.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.708 179.903 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.776 ' CE1' HD13 ' A' ' 330' ' ' LEU . 6.9 t80 -59.25 -43.02 92.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.353 179.578 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -56.07 -34.21 65.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.49 179.563 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 39.0 ttm -66.84 -61.34 2.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.046 179.328 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.441 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 5.3 m-85 -60.9 -27.88 68.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.679 179.458 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -68.67 -31.85 71.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.029 179.236 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -78.86 -31.35 45.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.307 179.369 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.815 HD21 ' HG ' ' C' ' 344' ' ' LEU . 1.2 mt -72.54 -34.62 67.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.644 179.674 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.42 ' HA ' HD12 ' B' ' 348' ' ' LEU . 60.2 t-20 -72.42 -43.79 63.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.65 179.781 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.448 ' O ' HD23 ' B' ' 350' ' ' LEU . 42.1 mt-10 -68.58 -31.37 70.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.764 179.766 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.594 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -71.1 -35.8 71.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.991 179.847 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.493 HD11 ' HD2' ' A' ' 337' ' ' ARG . 9.5 mt -68.89 -38.56 79.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.698 179.878 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -63.81 -30.0 71.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.448 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.2 mm? -72.79 -32.45 65.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.506 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 0.0 OUTLIER -67.7 -31.86 72.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.86 -36.63 84.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.39 -31.29 71.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.059 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -80.65 -43.78 19.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.33 168.35 10.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.342 -1.255 . . . . 0.0 112.496 -179.978 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.818 0.342 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -96.01 110.05 22.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -93.03 88.48 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.69 125.9 27.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.618 ' O ' HD12 ' C' ' 332' ' ' ILE . 23.8 tp -128.08 111.85 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -83.05 104.23 13.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.618 HD12 ' O ' ' C' ' 330' ' ' LEU . 3.7 mp -105.78 149.33 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -110.41 78.05 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.65 105.42 0.19 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -30.0 67.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 111.006 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.7 -63.95 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.58 ' HD3' HG21 ' C' ' 332' ' ' ILE . 5.1 ptp85 -54.88 -40.32 69.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -65.18 -38.82 91.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.27 179.648 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -58.66 -38.57 78.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.641 179.788 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttm -64.46 -55.76 18.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.47 179.603 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.407 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 3.0 m-85 -61.59 -31.48 71.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.728 179.796 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -67.28 -34.99 78.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.225 179.532 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -80.31 -31.06 38.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.271 179.375 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.835 ' O ' HD23 ' C' ' 348' ' ' LEU . 1.4 mt -77.01 -32.17 56.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.541 179.623 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -75.66 -38.9 58.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.719 179.849 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -73.88 -32.02 63.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.66 179.822 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.594 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -73.75 -32.44 63.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.843 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.835 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.6 mm? -72.37 -39.75 67.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.745 179.903 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -66.91 -29.14 68.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.5 mt -70.05 -43.31 71.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -68.16 -29.79 68.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -71.17 -31.59 67.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.8 -31.25 70.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.054 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -87.48 -42.62 12.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.84 -171.49 1.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.358 -1.245 . . . . 0.0 112.488 -179.963 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.855 0.36 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 60.55 110.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -134.18 114.1 12.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 1.3 m -73.07 131.96 42.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.553 ' O ' HD12 ' D' ' 332' ' ' ILE . 16.4 tp -121.2 106.09 11.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -83.8 99.62 10.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.553 HD12 ' O ' ' D' ' 330' ' ' LEU . 3.7 mp -98.5 117.12 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 15.0 ttt-85 -98.25 36.01 1.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.447 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -144.03 125.85 2.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.45 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -65.22 -38.41 90.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.35 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -73.31 -51.89 15.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.6 ttm105 -56.1 -40.04 73.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.749 179.853 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -61.85 -48.47 80.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.439 179.668 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.97 -34.18 59.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.709 179.715 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 4.4 mtp -66.5 -58.64 4.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.362 179.443 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.407 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 3.0 m-85 -60.44 -29.19 68.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.698 179.573 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -67.8 -38.42 83.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.181 179.445 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -76.75 -32.59 57.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.304 179.38 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.795 HD21 HD21 ' A' ' 344' ' ' LEU . 0.3 OUTLIER -73.89 -29.98 62.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.496 179.595 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -73.46 -43.44 60.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.695 179.846 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -71.35 -31.2 67.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.726 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.05 -34.49 59.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.02 179.861 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.468 HD23 ' O ' ' D' ' 344' ' ' LEU . 2.4 mm? -72.65 -30.75 64.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.8 179.861 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.5 -29.8 66.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.805 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.15 -38.42 88.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -33.62 73.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -69.02 -39.1 79.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.27 -32.93 72.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -69.87 -31.38 69.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.53 116.82 16.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.545 -179.999 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.412 ' HG2' ' CZ ' ' A' ' 328' ' ' PHE . 2.5 tt0 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.875 0.369 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.42 ' CE1' ' HG3' ' B' ' 333' ' ' ARG . 5.4 m-85 -104.19 152.89 21.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.421 ' CZ ' ' HG3' ' B' ' 335' ' ' ARG . 48.4 m-85 -142.68 102.87 4.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 3.9 m -77.85 107.63 10.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.774 HD13 ' CE1' ' B' ' 338' ' ' PHE . 13.1 tp -100.32 108.37 20.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -95.71 121.37 37.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -118.62 152.73 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.405 ' CG ' ' CE2' ' B' ' 327' ' ' TYR . 0.8 OUTLIER -104.76 36.87 2.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.84 133.12 5.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -70.44 -61.9 1.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.31 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.79 -34.24 72.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.631 ' HD2' HD22 ' B' ' 348' ' ' LEU . 1.0 OUTLIER -60.32 -52.68 64.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.712 179.886 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.439 ' CZ ' HD13 ' B' ' 330' ' ' LEU . 9.4 t80 -58.78 -46.02 88.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.344 179.604 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -55.82 -32.73 63.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.448 179.534 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.542 ' O ' HD12 ' A' ' 344' ' ' LEU . 7.0 ttm -66.77 -60.65 2.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.167 179.338 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.447 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 5.1 m-85 -60.34 -28.83 68.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.619 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -34.03 74.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.947 0.403 . . . . 0.0 110.133 179.33 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.87 -31.99 51.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.293 179.342 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.882 HD21 HD21 ' D' ' 344' ' ' LEU . 1.4 mp -72.72 -36.38 67.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.512 179.598 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -69.85 -42.18 73.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.647 179.807 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -72.93 -38.32 66.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.624 179.716 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.27 -27.62 59.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.815 179.718 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 40.0 tp -76.52 -31.03 57.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.796 179.855 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -74.38 -31.61 62.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 mt -70.04 -32.52 70.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.901 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.412 ' HZ1' ' HB2' ' D' ' 347' ' ' ALA . 76.2 mttt -64.92 -32.41 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 179.897 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.32 -31.41 72.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.12 -43.98 60.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -29.7 35.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -90.64 -63.9 1.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.076 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.425 -1.209 . . . . 0.0 112.475 -179.961 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.818 0.342 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.405 ' CE2' ' CG ' ' A' ' 333' ' ' ARG . 12.6 m-85 -129.06 151.91 49.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.421 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 5.0 m-85 -130.28 131.83 45.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.5 145.62 28.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.623 HD23 HD11 ' B' ' 332' ' ' ILE . 13.2 tp -137.6 88.03 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -66.1 83.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.623 HD11 HD23 ' B' ' 330' ' ' LEU . 4.7 mt -93.08 152.55 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.42 ' HG3' ' CE1' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -108.05 39.41 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.36 113.44 1.06 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.464 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.421 ' HG3' ' CZ ' ' A' ' 328' ' ' PHE . 1.7 ttt-85 -68.47 -37.09 79.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.721 0.296 . . . . 0.0 111.007 -179.92 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -68.95 -58.71 3.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.949 -179.9 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -55.04 -45.99 75.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 0.0 110.772 179.859 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.774 ' CE1' HD13 ' A' ' 330' ' ' LEU . 3.9 t80 -60.5 -39.65 88.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.423 179.56 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.74 -39.9 78.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.695 179.762 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.8 ttm -63.48 -55.55 23.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.429 179.562 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.424 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 3.1 m-85 -61.0 -33.47 73.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.777 179.707 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -66.04 -33.44 75.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.276 179.513 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -80.14 -32.02 38.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.327 179.412 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.699 HD22 ' CD2' ' C' ' 344' ' ' LEU . 68.4 mt -76.46 -32.21 58.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.558 179.623 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -74.45 -39.24 62.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.505 179.699 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -74.5 -38.63 62.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.544 179.691 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.74 -27.59 60.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.793 179.575 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.631 HD22 ' HD2' ' A' ' 337' ' ' ARG . 8.2 tp -75.36 -33.71 61.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.661 179.815 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.83 -29.06 65.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.808 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.65 -44.61 61.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.61 ' HD3' HD12 ' B' ' 348' ' ' LEU . 6.9 ptmt -66.77 -30.37 70.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.799 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -69.33 -31.32 69.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.6 -31.22 68.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.053 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -71.03 -43.69 67.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -66.26 -39.07 89.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.507 -179.982 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.787 0.327 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -96.88 110.66 23.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -98.04 91.47 5.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.67 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -71.58 122.24 20.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.983 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.924 HD23 HD11 ' C' ' 332' ' ' ILE . 20.2 tp -108.98 116.05 31.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.612 ' CG ' HG23 ' D' ' 329' ' ' THR . 13.1 mt-30 -98.6 85.5 3.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.924 HD11 HD23 ' C' ' 330' ' ' LEU . 3.8 mp -85.3 142.6 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -98.63 33.51 2.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.34 121.21 3.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.445 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -60.26 -46.46 89.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.94 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.79 -47.7 44.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.574 ' HG3' HD13 ' D' ' 348' ' ' LEU . 3.1 ttm180 -56.78 -44.08 81.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.785 179.91 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.436 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 11.8 t80 -60.57 -47.41 86.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.49 179.645 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.62 -33.99 61.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.604 179.77 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -66.56 -58.63 4.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.329 179.502 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.477 ' CD2' ' CD1' ' D' ' 341' ' ' PHE . 2.5 m-85 -64.06 -29.35 70.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.797 179.693 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.404 ' HG3' ' CE1' ' C' ' 338' ' ' PHE . 2.3 tmt_? -73.6 -34.14 64.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.2 179.422 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -81.57 -31.93 32.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.266 179.334 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.699 ' CD2' HD22 ' B' ' 344' ' ' LEU . 11.2 mt -77.94 -29.44 49.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.565 179.52 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.561 ' OD1' HG23 ' D' ' 332' ' ' ILE . 52.1 t30 -77.61 -38.83 47.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.601 179.751 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -72.99 -31.12 64.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.755 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.585 ' HB2' ' HD2' ' B' ' 351' ' ' LYS . . . -75.62 -35.47 60.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.002 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.495 HD12 ' CG ' ' D' ' 337' ' ' ARG . 12.1 mt -72.36 -32.0 66.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.742 179.888 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.4 -31.61 70.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.754 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -71.43 -42.98 67.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.76 -31.24 72.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -67.61 -31.58 71.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.04 -31.22 69.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -90.09 -42.46 11.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.8 129.91 44.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.41 -1.217 . . . . 0.0 112.469 -179.953 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.822 0.344 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 60.43 110.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.436 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 7.4 m-85 -131.91 139.13 48.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.67 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -105.44 144.99 31.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 17.0 tp -149.33 102.19 3.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -66.05 84.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.628 HG21 ' HE2' ' D' ' 341' ' ' PHE . 4.6 mt -82.36 115.01 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -84.45 106.88 16.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 141.34 122.38 1.83 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -68.48 -30.67 69.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.05 -47.17 53.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.495 ' CG ' HD12 ' C' ' 348' ' ' LEU . 8.1 mtm180 -57.41 -43.16 83.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.712 179.923 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.474 ' CE2' HD13 ' C' ' 330' ' ' LEU . 12.3 t80 -60.59 -47.7 85.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.44 179.705 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -54.2 -34.1 59.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.603 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.7 ttm -66.39 -59.26 3.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.266 179.468 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.628 ' HE2' HG21 ' D' ' 332' ' ' ILE . 4.3 m-85 -60.45 -29.42 69.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.774 179.62 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.49 -34.95 76.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.987 0.422 . . . . 0.0 110.196 179.446 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.3 -31.04 38.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.219 179.299 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.882 HD21 HD21 ' A' ' 344' ' ' LEU . 1.6 mp -76.09 -32.54 59.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.473 179.572 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -75.53 -41.51 54.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.612 179.805 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -73.61 -29.89 62.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.719 179.774 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.412 ' HB2' ' HZ1' ' A' ' 351' ' ' LYS . . . -76.97 -31.75 56.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.996 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.639 HD12 ' O ' ' D' ' 344' ' ' LEU . 0.7 OUTLIER -76.74 -31.23 56.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.778 179.901 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -73.77 -29.86 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.777 179.794 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 7.3 mt -72.92 -42.0 63.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.501 ' HD3' HD23 ' D' ' 348' ' ' LEU . 2.3 ptmm? -67.16 -30.53 70.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.65 -31.32 70.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.68 -38.53 70.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -77.01 -39.5 50.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.9 -65.59 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.518 179.991 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 1.5 mm-40 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.858 0.361 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.401 ' CZ ' ' HB3' ' B' ' 333' ' ' ARG . 17.2 m-85 -88.5 117.87 27.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 326' ' ' GLU . 29.6 m-85 -105.16 127.89 53.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 2.7 m -93.53 152.89 18.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.643 HD13 ' CE1' ' B' ' 338' ' ' PHE . 12.2 tp -152.07 101.7 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.54 ' NE2' ' CD1' ' B' ' 327' ' ' TYR . 4.5 tt0 -81.24 86.75 6.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.619 HD13 ' CD2' ' A' ' 341' ' ' PHE . 3.6 mt -82.32 149.68 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -107.41 86.03 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 162.84 118.5 0.46 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -31.29 72.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.311 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -75.33 -47.97 25.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -57.09 -45.13 83.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.639 179.876 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.434 ' CE1' ' HD2' ' A' ' 342' ' ' ARG . 11.9 t80 -60.84 -47.21 87.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.389 179.604 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.8 -34.15 62.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.689 179.666 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.49 ' O ' HD12 ' A' ' 344' ' ' LEU . 1.6 tpp -66.29 -58.01 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.317 179.541 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.619 ' CD2' HD13 ' A' ' 332' ' ' ILE . 3.4 m-85 -60.09 -30.44 69.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.759 179.66 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.434 ' HD2' ' CE1' ' A' ' 338' ' ' PHE . 10.6 ttt85 -66.66 -36.36 82.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.217 179.464 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -79.34 -31.68 43.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.287 179.388 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.805 ' O ' HD12 ' A' ' 348' ' ' LEU . 2.3 mp -76.56 -31.89 57.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.48 179.576 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.456 ' OD1' HG23 ' B' ' 332' ' ' ILE . 46.0 t30 -73.91 -39.71 63.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.655 179.701 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.583 ' O ' HD12 ' A' ' 350' ' ' LEU . 9.8 mt-10 -72.39 -37.13 68.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.663 179.836 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.506 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . . . -73.17 -30.92 63.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.855 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.848 HD13 ' HG2' ' B' ' 337' ' ' ARG . 0.3 OUTLIER -73.38 -33.54 65.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.76 179.886 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -68.45 -31.01 70.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.68 HD23 ' OE1' ' D' ' 354' ' ' GLN . 0.7 OUTLIER -65.63 -39.73 91.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.965 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.494 ' O ' ' HB3' ' A' ' 355' ' ' ALA . 5.1 ttmt -59.31 -32.11 69.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.975 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.22 -31.12 54.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -79.7 -31.4 41.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.68 -30.9 18.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 351' ' ' LYS . . . -94.62 -171.47 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.414 -1.215 . . . . 0.0 112.517 179.982 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.806 0.336 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.54 ' CD1' ' NE2' ' A' ' 331' ' ' GLN . 6.7 m-85 63.19 141.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -155.69 115.55 3.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.92 138.66 46.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.408 HD13 ' CE2' ' A' ' 338' ' ' PHE . 11.2 tp -131.81 106.69 8.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -103.19 121.09 41.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.494 HD13 ' CE2' ' B' ' 341' ' ' PHE . 4.0 mt -125.24 150.64 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.097 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 327' ' ' TYR . 10.0 ptt180 -99.43 33.71 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.99 128.23 3.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.37 -32.2 66.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.26 -48.01 38.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.848 ' HG2' HD13 ' A' ' 348' ' ' LEU . 12.2 mtm180 -57.37 -44.07 84.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.704 179.867 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.643 ' CE1' HD13 ' A' ' 330' ' ' LEU . 10.9 t80 -60.24 -46.58 89.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.434 179.682 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -54.14 -35.49 62.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.695 179.701 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.483 ' O ' HD12 ' B' ' 344' ' ' LEU . 0.6 OUTLIER -66.29 -58.89 4.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.269 179.506 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.494 ' CE2' HD13 ' B' ' 332' ' ' ILE . 3.3 m-85 -60.88 -28.06 68.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.723 179.597 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -68.44 -33.75 74.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.269 179.432 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.47 -33.04 36.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.324 179.49 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.806 ' O ' HD23 ' B' ' 348' ' ' LEU . 3.6 mp -77.83 -30.58 51.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.523 179.605 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -76.69 -36.24 57.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.772 179.796 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -76.32 -30.37 57.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.85 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.12 -30.1 49.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.991 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.806 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.7 mm? -77.53 -34.76 53.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 179.929 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -74.65 -29.68 61.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 5.8 mt -73.64 -32.03 63.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -69.89 -31.58 69.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -70.33 -30.99 68.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.39 -40.19 85.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -75.22 -30.88 60.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -134.72 78.19 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.422 -1.21 . . . . 0.0 112.502 -179.973 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.83 0.348 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 61.99 116.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.437 ' N ' ' CD1' ' C' ' 328' ' ' PHE . 3.5 m-85 -127.16 101.5 6.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.457 HG23 ' HG3' ' D' ' 331' ' ' GLN . 0.2 OUTLIER -74.68 143.75 44.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.425 HD23 HD11 ' C' ' 332' ' ' ILE . 13.4 tp -151.76 110.26 3.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.513 ' HG3' HG23 ' D' ' 329' ' ' THR . 42.3 mt-30 -95.75 128.14 42.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.425 HD11 HD23 ' C' ' 330' ' ' LEU . 4.3 mt -127.07 151.8 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.75 35.57 2.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.01 124.84 4.09 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.444 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -75.85 -35.18 60.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.791 0.329 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -77.1 -42.23 38.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.611 ' HD2' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -59.67 -52.64 64.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.572 179.851 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -59.91 -42.29 93.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.117 179.512 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -55.91 -35.02 66.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.471 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.8 ttm -66.47 -61.02 2.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.074 179.35 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.486 ' CD1' ' CD2' ' D' ' 341' ' ' PHE . 6.6 m-85 -58.79 -26.35 63.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.825 179.498 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -37.09 81.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.891 0.377 . . . . 0.0 110.149 179.375 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.54 -32.48 53.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.403 179.422 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.819 ' O ' HD23 ' C' ' 348' ' ' LEU . 82.1 mt -75.59 -30.78 59.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.602 179.641 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -73.57 -40.06 64.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.662 179.764 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.435 ' O ' HD23 ' C' ' 350' ' ' LEU . 17.1 mt-10 -69.51 -36.3 76.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.758 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.71 -35.78 72.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.012 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.819 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.7 mm? -68.52 -34.7 76.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.756 179.884 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.87 -31.89 73.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.435 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.9 mm? -72.46 -36.72 68.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -67.44 -31.55 71.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -66.0 -32.05 73.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.22 -31.91 70.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -86.37 -38.18 17.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -133.58 109.23 9.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.428 -1.206 . . . . 0.0 112.534 -179.986 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.844 0.355 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -100.14 152.89 19.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -144.25 109.53 5.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.513 HG23 ' HG3' ' C' ' 331' ' ' GLN . 1.8 m -75.94 138.6 41.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 1.0 HD23 HD11 ' D' ' 332' ' ' ILE . 23.8 tp -132.57 117.21 17.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.457 ' HG3' HG23 ' C' ' 329' ' ' THR . 19.2 mp0 -99.42 84.02 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 1.0 HD11 HD23 ' D' ' 330' ' ' LEU . 3.9 mp -81.43 122.27 36.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 36.4 ptt85 -97.78 37.64 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.79 133.65 6.64 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -64.24 -66.15 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.775 0.322 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -59.68 -38.46 81.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.501 ' HG2' HG21 ' D' ' 332' ' ' ILE . 14.9 ttp-105 -59.26 -51.68 68.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.565 179.769 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -62.69 -47.64 82.76 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.23 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -55.77 -30.92 62.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.393 179.383 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 4.3 ttm -66.81 -59.67 3.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.306 179.45 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.486 ' CD2' ' CD1' ' C' ' 341' ' ' PHE . 2.5 m-85 -60.62 -30.02 69.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.709 179.585 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -39.68 80.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.342 179.499 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.35 -30.44 48.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.274 179.414 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.746 HD11 HD21 ' A' ' 344' ' ' LEU . 0.5 OUTLIER -77.74 -31.35 52.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.509 179.65 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -77.73 -40.25 41.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.574 179.728 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -76.35 -30.36 57.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.614 179.667 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.37 -31.23 42.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.763 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.661 HD12 ' O ' ' D' ' 344' ' ' LEU . 7.7 mt -76.8 -31.12 56.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.601 179.791 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -71.47 -30.35 65.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.816 179.771 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.61 -37.1 84.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 179.886 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.506 ' HE3' ' HB2' ' A' ' 347' ' ' ALA . 27.1 mttt -60.29 -35.29 75.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -68.1 -31.67 71.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.53 -41.59 65.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.68 ' OE1' HD23 ' A' ' 350' ' ' LEU . 1.4 mt-30 -71.9 -32.23 67.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -76.25 -39.01 55.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.501 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.861 0.362 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -141.27 96.2 2.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.424 ' CG2' HG22 ' B' ' 329' ' ' THR . 3.2 m -70.97 117.18 12.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.64 HD13 ' CE2' ' B' ' 338' ' ' PHE . 47.6 tp -112.4 102.23 10.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -73.19 113.72 10.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.478 HD11 ' CD2' ' A' ' 330' ' ' LEU . 23.5 mm -104.46 140.18 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.408 ' HG2' ' CE2' ' B' ' 327' ' ' TYR . 83.1 mtt180 -113.96 38.48 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.446 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -151.2 135.75 5.24 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.434 ' HD2' ' CZ ' ' B' ' 328' ' ' PHE . 4.6 tpt180 -75.82 -37.22 59.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -76.26 -52.0 10.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.421 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 6.7 ttm180 -56.15 -43.75 78.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.778 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.408 ' CE1' HD13 ' B' ' 330' ' ' LEU . 10.6 t80 -61.87 -46.43 89.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.38 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -55.2 -33.8 63.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.653 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.5 ttm -66.41 -58.62 4.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.326 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.421 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.7 m-85 -59.93 -29.48 68.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.782 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -35.09 79.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.172 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -79.7 -32.78 41.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.254 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.903 HD21 HD11 ' D' ' 344' ' ' LEU . 0.8 OUTLIER -75.25 -31.01 60.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.433 179.529 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -73.7 -42.23 61.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.68 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -71.25 -33.5 69.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.691 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.409 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -72.72 -31.22 64.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.822 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.2 mm? -71.86 -39.47 69.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -65.53 -31.43 72.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.9 -32.24 69.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.785 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -65.96 -31.5 72.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -62.72 -31.64 72.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.24 -31.25 67.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.408 ' CE2' ' HG2' ' A' ' 333' ' ' ARG . 5.9 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.801 0.334 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.434 ' CZ ' ' HD2' ' A' ' 335' ' ' ARG . 18.4 m-85 -142.94 93.48 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.424 HG22 ' CG2' ' A' ' 329' ' ' THR . 0.2 OUTLIER -63.41 117.68 7.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.803 HD23 HD11 ' B' ' 332' ' ' ILE . 9.4 tp -113.59 113.73 25.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -97.19 128.02 43.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.803 HD11 HD23 ' B' ' 330' ' ' LEU . 3.8 mp -135.71 145.74 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 -98.29 35.53 1.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.27 106.31 0.67 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -62.05 -31.97 72.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.34 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -74.4 -50.96 16.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.416 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 4.9 ttm180 -56.7 -41.53 77.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.748 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.64 ' CE2' HD13 ' A' ' 330' ' ' LEU . 11.7 t80 -61.9 -47.3 85.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.428 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -54.35 -35.06 62.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.645 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.5 ttm -65.36 -58.47 5.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.272 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.416 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 5.4 m-85 -58.47 -30.75 67.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.714 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -63.93 -37.92 89.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.163 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -76.84 -33.59 57.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.225 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.868 HD21 HD21 ' C' ' 344' ' ' LEU . 0.7 OUTLIER -72.61 -32.64 66.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.327 179.469 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -69.48 -45.05 69.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.667 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -70.94 -29.4 65.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.834 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.0 -29.22 55.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.739 HD13 ' HD3' ' B' ' 351' ' ' LYS . 1.6 mm? -75.77 -36.12 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -70.92 -29.45 65.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.781 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.02 -44.18 55.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.779 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.739 ' HD3' HD13 ' B' ' 348' ' ' LEU . 14.2 ptmm? -69.79 -30.32 67.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -73.85 -31.31 63.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.1 -34.6 73.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.067 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.405 ' O ' ' CD1' ' C' ' 328' ' ' PHE . 94.1 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.798 0.333 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' C' ' 327' ' ' TYR . 13.0 m-85 -138.38 107.98 6.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 6.0 m -76.65 129.87 36.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' C' ' 330' ' ' LEU . 15.4 tp -129.28 105.92 8.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -84.89 124.87 32.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.421 HG21 ' HB3' ' C' ' 337' ' ' ARG . 3.8 mp -116.52 117.87 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.428 ' HB3' ' CZ ' ' D' ' 327' ' ' TYR . 0.2 OUTLIER -68.99 -30.39 68.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -80.11 128.97 8.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.459 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 9.4 ttp85 -71.93 -36.62 69.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.766 0.317 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.15 -47.75 60.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.421 ' HB3' HG21 ' C' ' 332' ' ' ILE . 6.2 ttm180 -57.29 -42.1 81.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.772 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.44 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 12.8 t80 -60.89 -47.8 84.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.488 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -54.42 -34.85 62.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.782 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.8 ttm -66.05 -56.89 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.388 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -61.16 -31.21 70.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.632 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.402 ' HG3' ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -65.77 -33.03 74.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.203 179.426 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -75.95 -35.36 59.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.381 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.868 HD21 HD21 ' B' ' 344' ' ' LEU . 2.4 mp -72.66 -38.86 67.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.45 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.417 ' OD1' HG23 ' D' ' 332' ' ' ILE . 21.0 t30 -66.84 -36.24 81.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.497 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.72 -47.4 63.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.628 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.715 ' HB2' ' HD2' ' B' ' 351' ' ' LYS . . . -65.61 -28.87 69.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.654 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.888 HD22 ' HG2' ' D' ' 337' ' ' ARG . 7.1 tp -68.9 -39.91 79.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.755 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.98 -33.56 75.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.3 mp -66.55 -38.86 88.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.805 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -60.22 -36.05 76.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -62.31 -37.98 87.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.46 -31.0 70.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.938 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.428 ' CZ ' ' HB3' ' C' ' 333' ' ' ARG . 10.2 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.768 0.318 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.44 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 30.2 m-85 -140.44 119.39 12.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.37 121.85 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 16.4 tp -124.44 107.42 11.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -80.68 125.04 29.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.417 HG23 ' OD1' ' C' ' 345' ' ' ASN . 4.7 mt -127.34 137.18 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.049 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 28.4 ttp85 -98.1 36.21 1.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.67 115.49 1.71 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.504 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -40.03 94.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.75 0.309 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.98 -47.7 24.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.888 ' HG2' HD22 ' C' ' 348' ' ' LEU . 2.0 tpt180 -57.35 -48.63 78.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.714 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -62.56 -45.21 93.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.081 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -56.18 -32.65 64.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.45 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.2 ttm -66.25 -60.25 2.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.184 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.551 ' HE2' HD22 ' C' ' 344' ' ' LEU . 6.6 m-85 -59.0 -29.88 67.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.804 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -37.53 85.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.094 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.15 -31.18 49.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.237 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.903 HD11 HD21 ' A' ' 344' ' ' LEU . 1.0 OUTLIER -74.41 -30.45 61.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.519 179.607 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -74.32 -44.07 54.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.684 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -71.67 -30.89 66.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.793 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.409 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -76.88 -31.46 56.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.057 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.469 HD23 ' O ' ' D' ' 344' ' ' LEU . 1.9 mm? -75.02 -31.9 61.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.764 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -71.83 -33.12 68.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 19.1 mt -69.78 -37.25 76.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -64.55 -31.31 72.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.53 -33.0 74.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.96 -31.16 71.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.913 0.387 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.417 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 13.2 m-85 -134.07 84.01 2.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.24 101.42 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.596 HD12 ' CE2' ' B' ' 338' ' ' PHE . 5.1 tt -101.73 124.34 47.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.592 ' HG3' HG22 ' B' ' 329' ' ' THR . 1.7 mp0 -105.91 136.17 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.559 HD11 HD22 ' A' ' 330' ' ' LEU . 3.7 mp -130.31 151.42 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -100.4 31.75 3.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -139.71 129.38 4.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.86 -34.59 69.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.758 0.314 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -75.22 -39.21 60.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.454 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 1.8 tpp180 -59.86 -52.21 66.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.683 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.492 ' CD1' HD12 ' B' ' 330' ' ' LEU . 7.6 t80 -59.78 -43.84 94.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.221 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -55.92 -34.79 65.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.553 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 4.7 ttp -65.64 -59.73 3.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.25 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.454 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 6.1 m-85 -59.06 -28.86 66.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.773 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -36.16 82.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.138 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -78.64 -31.53 46.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.396 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.628 ' O ' HD12 ' A' ' 348' ' ' LEU . 86.0 mt -77.36 -30.32 53.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.622 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -75.69 -37.94 59.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.713 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.27 -36.04 66.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.689 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.54 -31.85 67.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.797 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.8 OUTLIER -70.54 -41.62 72.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.571 179.699 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -72.62 -25.07 61.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.538 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.429 ' HA ' HD12 ' A' ' 350' ' ' LEU . 8.9 tp -74.07 -36.84 64.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.868 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -72.34 -29.29 63.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -72.15 -31.3 65.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.917 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.19 -31.67 72.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.06 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.809 0.337 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -148.14 142.23 26.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.592 HG22 ' HG3' ' A' ' 331' ' ' GLN . 0.7 OUTLIER -102.43 146.75 27.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.492 HD12 ' CD1' ' A' ' 338' ' ' PHE . 6.9 tt -143.02 94.84 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -61.02 121.67 13.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mt -121.79 112.3 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 11.8 ttt85 -96.8 39.19 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -142.06 129.97 4.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.448 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.94 -66.26 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.792 0.33 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.66 -38.01 80.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.827 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.474 ' HG2' ' CE2' ' B' ' 341' ' ' PHE . 29.2 ttm180 -60.4 -53.52 56.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.529 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.596 ' CE2' HD12 ' A' ' 330' ' ' LEU . 7.8 t80 -61.85 -44.26 97.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.987 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -57.63 -31.56 66.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.432 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.4 ttp -67.59 -59.34 3.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.327 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.474 ' CE2' ' HG2' ' B' ' 337' ' ' ARG . 1.8 m-85 -63.3 -28.24 69.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.702 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -37.58 65.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.386 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . 0.677 ' OE2' HD21 ' C' ' 348' ' ' LEU . 3.0 tm-20 -79.17 -32.15 44.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.277 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.764 HD11 HD21 ' C' ' 344' ' ' LEU . 0.5 OUTLIER -77.45 -30.55 53.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.52 179.62 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -76.11 -37.68 57.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.709 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -31.02 63.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.705 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.522 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -74.36 -35.37 63.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.062 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.741 HD23 ' O ' ' B' ' 344' ' ' LEU . 2.7 mm? -72.34 -35.14 68.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.747 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -69.44 -31.49 69.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.811 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mt -66.55 -35.72 80.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -36.42 77.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.47 -35.38 80.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.05 -39.61 72.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.926 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.437 ' CE1' ' HG2' ' D' ' 333' ' ' ARG . 5.9 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.762 0.315 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -138.58 115.52 10.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 7.8 m -71.08 124.67 24.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 54.3 tp -131.21 119.4 21.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -104.97 123.86 48.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.524 HG23 ' ND2' ' D' ' 345' ' ' ASN . 3.6 mp -120.78 131.65 72.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -88.12 76.15 8.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.42 119.98 0.6 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.442 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.7 ttt85 -67.35 -31.04 71.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -74.54 -51.61 14.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -56.46 -41.86 77.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.717 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -61.95 -47.01 86.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.377 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -54.75 -34.26 62.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.641 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.511 ' O ' HD12 ' C' ' 344' ' ' LEU . 6.1 mtm -66.43 -58.6 4.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.313 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -59.6 -29.12 67.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.746 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -37.86 85.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.145 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -78.49 -32.16 48.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.274 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.764 HD21 HD11 ' B' ' 344' ' ' LEU . 2.2 mp -75.36 -30.38 60.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.51 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.501 HD21 HD12 ' D' ' 332' ' ' ILE . 21.2 m-20 -73.99 -41.97 61.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.713 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.08 -31.45 62.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.709 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.495 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -78.64 -30.81 46.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.956 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.831 HD13 ' CG ' ' D' ' 337' ' ' ARG . 3.1 mt -77.57 -29.18 51.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.815 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -74.76 -31.13 61.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.809 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.3 mt -69.47 -34.91 75.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.522 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 9.2 mttm -63.59 -31.52 72.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -62.05 -31.97 72.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.13 72.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.07 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.804 0.335 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -133.99 91.92 2.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.75 148.34 47.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 21.9 tp -160.43 98.65 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -67.48 102.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.501 HD12 HD21 ' C' ' 345' ' ' ASN . 27.3 mm -82.25 131.13 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.437 ' HG2' ' CE1' ' C' ' 327' ' ' TYR . 3.5 tmt_? -96.74 77.21 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 160.72 127.87 0.92 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -31.03 69.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.337 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -75.83 -51.84 11.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.831 ' CG ' HD13 ' C' ' 348' ' ' LEU . 7.4 mtm180 -56.64 -43.74 80.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.674 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -61.45 -45.83 92.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.403 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.25 -34.67 64.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.648 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.485 ' O ' HD12 ' D' ' 344' ' ' LEU . 21.9 ttm -66.44 -58.27 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.334 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -61.72 -29.53 70.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.664 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -68.26 -33.45 74.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.247 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -81.12 -32.91 33.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.287 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.815 ' O ' HD23 ' D' ' 348' ' ' LEU . 2.7 mp -77.67 -31.02 52.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.457 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.524 ' ND2' HG23 ' C' ' 332' ' ' ILE . 62.8 t-20 -75.68 -37.93 59.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.614 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.527 ' O ' HD12 ' D' ' 350' ' ' LEU . 21.7 mt-10 -72.27 -35.72 68.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.666 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.96 -33.93 70.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.815 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.6 mm? -70.03 -38.65 75.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.75 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -64.74 -31.03 72.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.527 HD12 ' O ' ' D' ' 346' ' ' GLU . 0.6 OUTLIER -65.04 -43.23 93.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -59.95 -37.41 79.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -70.56 -31.92 69.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.37 -31.31 62.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' B' ' 333' ' ' ARG . 66.1 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.768 0.318 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -107.39 105.16 14.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.17 149.3 49.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 18.4 tp -153.13 113.92 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -90.33 109.95 21.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -110.01 145.25 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -98.7 77.35 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 174.05 111.39 0.27 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 22.8 ptt-85 -61.49 -33.31 73.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.341 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -72.78 -42.75 63.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.75 ' HG3' HD23 ' B' ' 348' ' ' LEU . 7.0 ttm180 -58.61 -50.58 73.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.731 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.831 ' CE1' HD13 ' B' ' 330' ' ' LEU . 7.2 t80 -58.32 -43.26 88.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.378 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -54.81 -35.39 63.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.591 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.492 ' O ' HD12 ' A' ' 344' ' ' LEU . 9.3 mmm -66.32 -61.04 2.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.104 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -60.39 -27.28 67.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.716 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -33.41 74.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.978 0.418 . . . . 0.0 110.062 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.08 -31.44 34.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.24 179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.499 HD21 HD21 ' D' ' 344' ' ' LEU . 3.7 mp -76.61 -31.76 57.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.534 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -76.08 -40.65 52.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.672 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -73.87 -30.83 62.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.658 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.631 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -75.33 -31.18 60.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.576 HD13 ' CG ' ' B' ' 337' ' ' ARG . 8.6 mt -74.02 -38.41 64.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.754 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.04 -31.71 70.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.801 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 9.0 mt -67.43 -34.45 77.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.64 -33.9 74.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.798 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.02 -36.97 85.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.98 -31.32 69.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.093 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -107.24 110.55 22.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.59 152.96 42.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.831 HD13 ' CE1' ' A' ' 338' ' ' PHE . 61.6 tp -153.59 115.83 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.89 115.66 25.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.459 HD11 ' CD2' ' B' ' 330' ' ' LEU . 29.8 mm -101.05 115.2 42.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.433 ' HB3' ' CE2' ' A' ' 327' ' ' TYR . 4.6 ptm180 -86.47 69.34 10.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 164.53 121.92 0.58 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -28.37 67.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.722 0.296 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.12 -51.38 12.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.576 ' CG ' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -55.93 -46.02 78.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.687 179.831 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -60.79 -45.52 94.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.371 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -55.6 -35.2 65.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.676 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 5.0 ttp -67.64 -58.43 4.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.248 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -62.62 -25.98 68.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.7 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -71.91 -40.57 68.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.197 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -76.58 -30.67 57.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.316 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.778 ' O ' HD13 ' B' ' 348' ' ' LEU . 71.0 mt -76.63 -31.68 57.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.602 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -72.29 -39.22 68.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.509 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -69.09 -42.56 76.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.671 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.82 -26.23 62.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.778 HD13 ' O ' ' B' ' 344' ' ' LEU . 4.0 mp -74.93 -31.46 61.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.822 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -70.0 -31.0 68.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 10.1 mt -71.0 -45.6 63.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -31.28 71.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -70.39 -31.5 68.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.06 -31.3 61.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.793 0.33 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -153.81 97.54 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.2 m -68.72 143.55 54.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 1.035 HD23 HD11 ' C' ' 332' ' ' ILE . 14.7 tp -143.33 115.07 8.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -94.13 84.15 4.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 1.035 HD11 HD23 ' C' ' 330' ' ' LEU . 3.8 mp -92.04 129.28 42.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.58 32.57 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.512 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -118.41 114.58 2.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -50.58 72.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.326 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -70.08 -41.49 74.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.807 ' CD ' HD13 ' D' ' 348' ' ' LEU . 1.5 tpp85 -59.31 -51.53 69.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.702 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.657 ' CE2' HD13 ' D' ' 330' ' ' LEU . 7.2 t80 -59.74 -43.3 94.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.268 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.78 -35.1 65.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.548 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.1 mmm -66.05 -60.13 3.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.162 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.456 ' CD2' ' CD1' ' D' ' 341' ' ' PHE . 5.4 m-85 -60.08 -27.81 67.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.694 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.6 ttp85 -67.63 -33.73 75.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.201 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -81.1 -31.61 34.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.339 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.765 ' O ' HD23 ' C' ' 348' ' ' LEU . 7.1 mt -78.48 -30.19 47.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.596 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -77.64 -36.97 50.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.677 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.452 ' O ' HD23 ' C' ' 350' ' ' LEU . 12.0 tt0 -75.16 -31.72 61.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.774 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.79 -31.91 57.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.765 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.7 mm? -75.53 -33.25 60.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.77 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -73.01 -33.24 65.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.452 HD23 ' O ' ' C' ' 346' ' ' GLU . 2.7 mm? -70.57 -31.6 68.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -67.13 -31.67 72.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.66 -31.37 72.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.51 -41.58 84.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.05 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.777 0.323 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -88.07 97.72 11.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.53 140.28 46.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.657 HD13 ' CE2' ' C' ' 338' ' ' PHE . 10.6 tp -136.23 115.35 12.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -96.75 86.09 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.561 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.7 mp -76.74 137.18 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.29 34.35 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -144.14 140.18 9.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.466 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -74.1 -56.74 4.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -62.74 -35.91 81.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.478 ' HB3' HG21 ' D' ' 332' ' ' ILE . 0.0 OUTLIER -60.58 -53.34 58.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.602 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.755 ' CE2' HD13 ' C' ' 330' ' ' LEU . 8.3 t80 -61.1 -45.12 96.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.052 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -56.59 -32.45 65.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.343 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.5 ttp -66.61 -60.67 2.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.139 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.466 ' CE2' ' HG3' ' D' ' 337' ' ' ARG . 5.0 m-85 -59.39 -29.41 67.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.97 -39.6 83.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.134 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -76.55 -29.86 56.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.156 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.499 HD21 HD21 ' A' ' 344' ' ' LEU . 1.1 mp -74.54 -37.08 63.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.502 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -69.45 -39.23 77.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.786 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -75.74 -31.13 59.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.731 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.631 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -79.61 -31.63 41.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.807 HD13 ' CD ' ' C' ' 337' ' ' ARG . 1.5 mt -77.96 -28.1 49.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.769 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -75.65 -29.84 59.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.778 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 8.6 mt -72.11 -39.77 68.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.553 ' HD3' HD23 ' D' ' 348' ' ' LEU . 0.3 OUTLIER -70.45 -32.84 70.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.2 -31.63 67.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.24 -31.16 69.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.851 0.358 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -150.03 114.61 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.18 152.89 31.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.512 ' HG ' HD11 ' A' ' 332' ' ' ILE . 6.8 tp -142.86 103.75 4.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.413 ' HB3' ' CD1' ' B' ' 327' ' ' TYR . 22.0 mt-30 -90.17 104.4 16.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.512 HD11 ' HG ' ' A' ' 330' ' ' LEU . 26.9 mm -107.55 103.83 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.425 ' HB2' ' CE1' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -64.14 -31.92 73.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -75.58 132.96 13.77 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -73.41 -40.95 63.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -71.36 -42.78 68.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.752 ' HG3' HD13 ' B' ' 348' ' ' LEU . 0.1 OUTLIER -57.73 -48.91 78.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.776 179.867 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.443 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 11.0 t80 -59.17 -46.23 88.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.415 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -54.81 -34.66 63.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.599 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.421 ' CE ' HD22 ' B' ' 344' ' ' LEU . 5.7 tmm? -65.9 -59.01 4.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.273 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.405 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 5.8 m-85 -58.19 -28.77 65.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.784 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -65.05 -40.0 94.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.059 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -76.37 -32.76 58.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.179 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.841 HD11 HD22 ' D' ' 344' ' ' LEU . 0.1 OUTLIER -72.27 -29.76 64.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.361 179.474 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.08 -47.75 49.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.635 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.482 ' O ' HD23 ' A' ' 350' ' ' LEU . 2.4 tp10 -69.86 -31.18 68.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.767 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.58 -31.39 57.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.067 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.786 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.1 mm? -74.05 -31.29 62.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.78 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -69.24 -32.11 71.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.789 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 346' ' ' GLU . 4.1 mm? -76.47 -32.79 58.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.803 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.544 ' HG3' HD22 ' D' ' 350' ' ' LEU . 2.0 ttpt -73.88 -31.36 63.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -71.07 -31.48 67.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.73 -31.15 70.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.425 ' CE1' ' HB2' ' A' ' 333' ' ' ARG . 13.8 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.827 0.346 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.443 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 20.8 m-85 -98.79 96.88 8.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.3 149.42 33.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 7.4 tp -151.32 107.52 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -80.12 108.53 13.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.542 HG22 ' H ' ' B' ' 334' ' ' GLY . 3.7 mp -99.21 133.76 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.73 30.81 3.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.542 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -137.88 114.3 1.07 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -60.79 -35.7 77.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -74.58 -50.46 17.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.416 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 5.4 ttm180 -56.83 -42.74 80.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.773 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -61.48 -46.6 89.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.395 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -54.58 -34.7 62.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.727 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -65.76 -58.25 6.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.338 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.586 ' HE2' HD22 ' A' ' 344' ' ' LEU . 5.2 m-85 -60.03 -30.77 69.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.715 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -33.34 75.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.969 0.414 . . . . 0.0 110.168 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -81.97 -30.92 31.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.291 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.537 HD21 ' CG ' ' C' ' 344' ' ' LEU . 0.9 OUTLIER -78.81 -30.2 45.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.616 179.581 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -79.24 -37.67 37.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.578 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -77.17 -30.58 54.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.647 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.428 ' HB2' ' CE ' ' C' ' 351' ' ' LYS . . . -79.1 -30.84 44.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.752 HD13 ' HG3' ' A' ' 337' ' ' ARG . 9.2 mt -77.65 -32.04 53.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.706 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.46 -30.35 63.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.741 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.05 -34.31 75.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -63.13 -33.04 74.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.66 -31.52 69.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.13 -38.29 85.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.789 0.328 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.413 ' CZ ' ' HG3' ' D' ' 335' ' ' ARG . 8.3 m-85 -101.24 111.32 23.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.2 m -76.33 114.05 14.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.698 HD13 ' CE1' ' D' ' 338' ' ' PHE . 18.5 tp -102.62 108.67 20.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -97.97 102.04 13.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.61 HD11 HD23 ' C' ' 330' ' ' LEU . 3.8 mp -102.6 139.48 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.4 34.22 2.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -138.28 119.96 1.9 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.439 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -60.32 -51.64 68.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.781 0.324 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -65.57 -34.89 79.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.878 ' HD2' HD13 ' D' ' 348' ' ' LEU . 0.8 OUTLIER -60.78 -53.1 61.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.76 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -57.86 -43.81 86.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.315 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -55.39 -34.63 64.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.52 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.555 ' O ' HD12 ' C' ' 344' ' ' LEU . 4.3 ttp -66.78 -61.08 2.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.088 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.456 ' CD2' ' CD2' ' D' ' 341' ' ' PHE . 5.9 m-85 -59.56 -26.51 65.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.698 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -67.47 -36.09 80.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.071 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -77.86 -33.0 52.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.242 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.555 HD12 ' O ' ' C' ' 340' ' ' MET . 3.5 mp -72.55 -31.24 65.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.411 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.96 -46.51 57.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.574 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -68.97 -33.57 73.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.779 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.11 -31.46 62.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.571 HD13 ' HB3' ' D' ' 337' ' ' ARG . 10.1 mt -71.92 -34.36 69.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.771 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.55 -31.25 71.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.853 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 8.8 mt -63.9 -36.41 83.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.428 ' CE ' ' HB2' ' B' ' 347' ' ' ALA . 53.8 mttt -65.68 -32.77 74.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -66.93 -32.68 74.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.31 -32.67 74.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.838 0.352 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -141.4 126.33 18.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 7.1 m -98.54 152.77 19.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 18.7 tp -151.47 106.18 3.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.19 83.6 3.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.558 HG22 ' H ' ' D' ' 334' ' ' GLY . 3.8 mt -78.84 127.13 39.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 18.0 ptt85 -98.4 32.85 2.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.558 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -140.46 111.12 0.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.413 ' HG3' ' CZ ' ' C' ' 328' ' ' PHE . 3.8 ttp180 -62.44 -31.05 71.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -60.38 2.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.571 ' HB3' HD13 ' C' ' 348' ' ' LEU . 5.7 ptp85 -56.34 -40.47 74.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.844 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.698 ' CE1' HD13 ' C' ' 330' ' ' LEU . 3.8 t80 -63.87 -39.37 94.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.243 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -57.65 -41.21 81.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.767 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.5 ttp -62.17 -54.39 41.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.418 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.456 ' CD2' ' CD2' ' C' ' 341' ' ' PHE . 2.8 m-85 -60.95 -36.41 79.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.807 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -37.34 86.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.221 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -79.01 -30.22 44.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.324 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.841 HD22 HD11 ' A' ' 344' ' ' LEU . 29.0 mt -78.43 -31.85 48.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.66 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -76.19 -35.31 59.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.71 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -75.68 -37.06 59.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.574 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.47 ' HB2' ' HD3' ' A' ' 351' ' ' LYS . . . -73.55 -33.3 64.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.611 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.878 HD13 ' HD2' ' C' ' 337' ' ' ARG . 0.6 OUTLIER -75.74 -41.53 53.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.344 179.572 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.55 -25.81 65.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.241 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.544 HD22 ' HG3' ' A' ' 351' ' ' LYS . 1.3 tp -66.03 -41.02 91.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.69 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -67.05 -42.93 83.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -68.15 -31.5 71.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.09 -33.46 70.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.892 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.87 0.367 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -151.66 92.09 1.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 3.1 m -62.14 130.92 47.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.475 HD21 ' ND2' ' B' ' 345' ' ' ASN . 33.1 tp -133.0 113.21 12.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.74 106.06 18.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.539 HG21 ' HB3' ' A' ' 337' ' ' ARG . 3.8 mp -97.32 119.89 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.51 -32.09 71.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -75.55 131.17 11.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.522 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -72.08 -40.07 68.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -70.78 -41.27 71.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.539 ' HB3' HG21 ' A' ' 332' ' ' ILE . 0.0 OUTLIER -58.76 -47.08 85.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.699 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.821 ' CE2' HD13 ' B' ' 330' ' ' LEU . 11.3 t80 -59.22 -46.98 87.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.503 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -54.73 -34.22 62.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.642 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.6 mtp -66.58 -58.61 4.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.308 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.481 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 3.5 m-85 -60.99 -28.99 69.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -69.63 -36.69 76.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.934 0.397 . . . . 0.0 110.23 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -79.92 -30.88 40.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.299 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.772 ' O ' HD23 ' A' ' 348' ' ' LEU . 40.4 mt -76.98 -29.21 55.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.64 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -76.81 -40.96 46.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.689 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.638 ' O ' HD23 ' A' ' 350' ' ' LEU . 16.2 tt0 -73.37 -30.32 63.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.752 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.417 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . . . -77.28 -32.3 55.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.772 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.7 mm? -75.82 -31.39 59.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.784 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.63 -33.31 62.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.638 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.9 mm? -75.44 -40.26 57.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.806 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.519 ' HE3' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -74.09 -28.68 61.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 179.832 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.9 -30.77 56.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.38 -30.2 64.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.074 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.853 0.358 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.43 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 10.7 m-85 -107.34 102.43 11.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.63 144.84 50.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.857 HD23 HD11 ' B' ' 332' ' ' ILE . 12.7 tp -144.84 98.82 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -69.33 88.53 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.857 HD11 HD23 ' B' ' 330' ' ' LEU . 27.7 mm -73.82 141.35 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.084 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -118.54 39.62 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.43 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -151.38 141.6 8.75 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -73.79 -60.37 2.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.751 0.31 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -60.75 -36.01 77.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.484 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -60.97 -54.16 48.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.583 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -61.14 -43.99 98.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.082 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -57.24 -32.22 66.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.358 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.594 ' HE1' HD13 ' A' ' 344' ' ' LEU . 4.5 tmm? -67.38 -60.76 2.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.177 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.484 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 5.2 m-85 -58.77 -27.0 64.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.7 179.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -66.39 -39.68 89.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.205 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -74.78 -33.05 62.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.963 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.993 HD11 HD21 ' C' ' 344' ' ' LEU . 3.8 mm? -72.96 -42.59 63.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.236 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.475 ' ND2' HD21 ' A' ' 330' ' ' LEU . 21.2 m-20 -66.33 -38.85 88.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.713 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -77.15 -30.38 54.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.696 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.87 -29.77 40.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.981 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 348' ' ' LEU . 38.3 mt -79.62 -30.45 41.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.84 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.14 -30.36 55.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.806 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.615 HD22 ' NE2' ' C' ' 354' ' ' GLN . 9.5 mt -73.23 -31.15 63.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.818 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -68.61 -31.46 70.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.82 -31.62 72.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.7 -34.06 71.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.411 ' CE2' ' HG2' ' D' ' 333' ' ' ARG . 95.7 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.831 0.348 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -154.55 132.5 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.538 HG23 ' HG2' ' D' ' 331' ' ' GLN . 0.6 OUTLIER -100.77 114.14 27.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.596 HD13 ' CE2' ' D' ' 338' ' ' PHE . 13.7 tp -105.25 97.25 7.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.663 ' HG3' HG23 ' D' ' 329' ' ' THR . 16.9 mp0 -77.34 115.74 17.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.544 HD11 ' CD2' ' C' ' 330' ' ' LEU . 28.2 mm -114.6 113.19 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.198 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -30.69 71.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -80.93 130.81 9.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -40.66 68.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -70.91 -41.9 70.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.505 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 4.8 tpp180 -57.73 -48.6 79.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.794 ' CE1' HD13 ' D' ' 330' ' ' LEU . 10.4 t80 -58.79 -46.67 87.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.397 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -54.67 -32.55 59.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.475 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.488 ' O ' HD12 ' C' ' 344' ' ' LEU . 3.5 tpp -67.14 -62.19 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.973 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.505 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 6.7 m-85 -60.34 -28.0 67.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.965 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -34.75 70.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.968 0.413 . . . . 0.0 110.155 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -80.51 -29.62 37.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.188 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.993 HD21 HD11 ' B' ' 344' ' ' LEU . 1.6 mp -75.74 -32.64 60.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.598 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.525 ' ND2' HG23 ' D' ' 332' ' ' ILE . 61.5 t30 -75.32 -42.15 55.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.662 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -75.51 -30.18 59.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.654 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.78 -29.97 40.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.756 HD23 ' HD3' ' C' ' 351' ' ' LYS . 8.0 mt -78.49 -29.86 46.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.76 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -75.32 -29.83 60.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 10.1 mt -74.17 -40.8 62.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.756 ' HD3' HD23 ' C' ' 348' ' ' LEU . 2.9 ptmm? -68.82 -30.61 69.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -69.4 -31.79 70.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.803 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.08 -30.91 70.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.615 ' NE2' HD22 ' B' ' 350' ' ' LEU . 3.4 mt-30 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.798 0.333 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -130.94 109.76 10.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.663 HG23 ' HG3' ' C' ' 331' ' ' GLN . 0.2 OUTLIER -74.26 142.41 45.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.83 HD23 HD11 ' D' ' 332' ' ' ILE . 13.5 tp -128.47 92.72 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.538 ' HG2' HG23 ' C' ' 329' ' ' THR . 24.0 mt-30 -72.69 84.05 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.83 HD11 HD23 ' D' ' 330' ' ' LEU . 4.4 mt -88.42 142.1 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.411 ' HG2' ' CE2' ' C' ' 327' ' ' TYR . 43.4 mtp180 -98.85 35.64 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -137.25 115.35 1.23 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.29 -50.83 72.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.828 0.347 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -65.8 -35.02 79.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.519 ' HD2' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -60.29 -52.78 63.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.728 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.596 ' CE2' HD13 ' C' ' 330' ' ' LEU . 8.7 t80 -58.5 -45.27 89.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.34 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -55.27 -33.76 63.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.492 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.6 ttp -66.5 -60.73 2.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.158 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.452 ' CE1' ' HG3' ' D' ' 337' ' ' ARG . 6.2 m-85 -59.59 -27.99 66.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.771 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -67.75 -34.08 76.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.917 0.389 . . . . 0.0 110.169 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -80.21 -30.4 38.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.352 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.656 ' O ' HD12 ' D' ' 348' ' ' LEU . 1.1 tp -76.26 -30.78 57.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.664 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -76.13 -41.68 49.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.652 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -74.31 -31.54 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.708 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.69 -30.67 46.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.656 HD12 ' O ' ' D' ' 344' ' ' LEU . 5.7 mt -77.12 -29.2 54.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.76 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -73.66 -30.81 63.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.755 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 mt -74.17 -45.21 50.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.764 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 347' ' ' ALA . 0.0 OUTLIER -70.52 -28.82 65.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.767 179.818 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -74.58 -30.49 61.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.807 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.48 -31.05 69.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.807 0.337 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -139.94 94.55 2.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.75 124.92 25.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 16.0 tp -115.24 107.66 15.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -76.33 96.7 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.626 HG21 ' HG2' ' A' ' 337' ' ' ARG . 4.6 mt -100.63 137.43 28.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -97.42 38.65 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -137.27 117.84 1.6 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.43 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -48.51 81.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.961 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -69.98 -40.41 75.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.714 ' HD3' HD13 ' B' ' 348' ' ' LEU . 2.6 ttp-105 -59.97 -52.71 64.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.635 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.408 ' CD2' ' HB2' ' B' ' 330' ' ' LEU . 7.2 t80 -62.67 -43.73 98.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.973 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -57.47 -32.02 66.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.306 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.52 ' O ' HD12 ' A' ' 344' ' ' LEU . 10.7 ttm -66.79 -60.67 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.177 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.459 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 5.0 m-85 -60.23 -28.7 68.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.743 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -35.69 78.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.981 0.42 . . . . 0.0 110.175 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -79.87 -31.51 40.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.195 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.787 HD21 HD21 ' D' ' 344' ' ' LEU . 2.1 mp -75.43 -30.84 60.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.497 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -74.78 -42.64 57.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.727 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.679 ' O ' HD23 ' A' ' 350' ' ' LEU . 3.6 tp10 -73.33 -31.91 64.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.696 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -76.84 -30.28 56.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.963 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 344' ' ' LEU . 15.1 mt -75.6 -33.0 60.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -72.24 -32.89 67.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.7 mm? -69.94 -36.84 75.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -64.8 -33.55 76.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -32.4 73.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.13 -31.14 55.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.838 0.351 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -131.23 102.07 5.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 3.0 m -64.27 119.5 10.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.449 HD23 HD11 ' B' ' 332' ' ' ILE . 24.9 tp -107.29 98.78 8.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -69.94 84.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.449 HD11 HD23 ' B' ' 330' ' ' LEU . 4.5 mt -81.02 153.19 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.66 99.19 5.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 140.66 141.46 4.01 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.6 -36.87 68.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.33 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -77.03 -43.28 35.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.444 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 3.8 ttp180 -59.45 -52.49 65.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -62.75 -42.65 99.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.968 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -57.91 -32.36 67.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.368 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttm -67.33 -60.64 2.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.172 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.445 ' CD1' ' CD2' ' A' ' 341' ' ' PHE . 4.6 m-85 -59.97 -26.92 66.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.758 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.92 -36.93 81.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.173 179.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -76.48 -34.91 58.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.336 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.735 HD22 HD22 ' C' ' 344' ' ' LEU . 26.8 mt -72.38 -29.78 64.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.488 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -72.38 -44.55 62.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.722 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -70.26 -31.21 68.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.768 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.83 -34.15 60.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.714 HD13 ' HD3' ' A' ' 337' ' ' ARG . 1.5 mt -72.84 -30.52 64.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -70.93 -29.33 65.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 mt -69.97 -44.43 69.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -62.54 -29.52 70.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -66.98 -39.93 87.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.65 -31.4 63.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.88 0.371 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -144.35 123.39 12.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.404 HG22 ' HG3' ' D' ' 331' ' ' GLN . 0.2 OUTLIER -94.35 94.35 8.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 21.1 tp -95.21 119.24 33.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -101.12 126.53 47.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -131.43 153.67 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -98.21 31.11 2.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -123.33 105.13 0.89 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.481 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -58.8 -43.6 90.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.763 0.316 . . . . 0.0 110.982 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -72.28 -38.34 68.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.532 ' CG ' HD13 ' D' ' 348' ' ' LEU . 5.7 ttm180 -60.57 -48.64 80.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.661 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.777 ' CE2' HD13 ' D' ' 330' ' ' LEU . 10.7 t80 -59.23 -46.35 88.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.448 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -55.31 -33.7 63.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.672 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.8 ttp -66.97 -58.51 4.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.319 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.419 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.9 m-85 -60.31 -29.05 68.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.685 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -66.95 -35.33 79.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.171 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -78.61 -32.43 47.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.372 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.735 HD22 HD22 ' B' ' 344' ' ' LEU . 20.4 mt -74.54 -30.03 61.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.596 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -74.33 -43.55 56.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.647 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.73 -31.8 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.693 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.12 -26.85 48.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.745 HD13 ' HD3' ' C' ' 351' ' ' LYS . 1.4 mm? -78.61 -28.03 45.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -76.98 -34.61 57.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.201 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.857 HD12 ' N ' ' C' ' 351' ' ' LYS . 4.3 pp -76.26 -32.56 58.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.126 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.857 ' N ' HD12 ' C' ' 350' ' ' LEU . 10.9 ptmt -78.1 -28.88 48.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.792 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -75.58 -30.07 59.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.05 -31.3 67.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.861 0.362 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -120.11 115.26 23.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 23.3 m -68.78 138.27 54.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.777 HD13 ' CE2' ' C' ' 338' ' ' PHE . 41.4 tp -130.71 108.77 10.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.404 ' HG3' HG22 ' C' ' 329' ' ' THR . 21.2 mt-30 -87.36 111.42 21.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.545 HD11 ' CD2' ' D' ' 330' ' ' LEU . 23.3 mm -104.01 132.43 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.135 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -100.89 35.67 2.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.436 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -152.65 135.36 4.89 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.473 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -76.21 -44.94 35.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.336 . . . . 0.0 111.011 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -63.76 -55.32 24.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.412 ' HG3' HG21 ' D' ' 332' ' ' ILE . 15.8 ptp180 -55.76 -46.64 77.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.777 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -59.55 -40.03 85.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.367 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.94 -41.22 77.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.741 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.569 ' O ' HD12 ' D' ' 344' ' ' LEU . 2.2 mpp? -62.57 -54.91 32.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.396 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.451 ' HE1' HD13 ' C' ' 344' ' ' LEU . 3.4 m-85 -58.92 -33.73 70.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.777 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -62.95 -38.68 92.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.216 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -77.8 -31.19 51.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.213 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.787 HD21 HD21 ' A' ' 344' ' ' LEU . 1.2 mp -74.2 -31.52 62.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.51 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -73.16 -43.87 60.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.76 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -72.94 -30.04 63.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.804 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -79.59 -30.7 41.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.734 HD12 ' O ' ' D' ' 344' ' ' LEU . 1.2 mt -79.28 -25.93 42.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -81.34 -34.15 32.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.711 HD12 ' N ' ' D' ' 351' ' ' LYS . 4.5 pp -79.41 -29.06 41.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.942 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.711 ' N ' HD12 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -81.21 -28.58 34.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.766 179.767 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -78.25 -30.34 48.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.52 -30.92 61.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.038 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.765 0.316 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -148.65 92.5 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 3.9 m -71.24 152.85 42.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.787 HD23 HD11 ' A' ' 332' ' ' ILE . 13.5 tp -150.57 101.44 2.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -77.23 88.22 3.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.787 HD11 HD23 ' A' ' 330' ' ' LEU . 4.9 mt -92.62 130.68 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.03 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -97.79 74.88 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.7 122.99 0.87 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.521 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -69.19 -31.54 70.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -75.99 -52.17 10.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.768 ' CG ' HD13 ' B' ' 348' ' ' LEU . 4.8 mtm180 -56.43 -43.47 79.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.65 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -61.56 -46.14 91.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.394 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -55.22 -34.66 64.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.677 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.4 ttm -66.55 -58.17 5.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.398 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.427 ' CD2' ' CD2' ' B' ' 341' ' ' PHE . 2.5 m-85 -62.74 -29.43 70.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.723 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -70.92 -36.77 72.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.213 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -79.01 -31.3 44.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.319 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.924 HD11 HD11 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -76.72 -32.08 57.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.516 179.587 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -74.27 -38.61 63.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.799 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -75.48 -32.32 60.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.698 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -78.28 -30.58 48.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.958 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.843 HD13 ' HD3' ' B' ' 337' ' ' ARG . 4.5 mt -77.76 -29.99 51.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -75.69 -30.82 59.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.5 mt -72.38 -32.31 66.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -67.83 -35.31 78.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -64.85 -40.34 95.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.49 -31.49 71.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.854 0.359 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -104.03 106.2 16.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.4 m -74.97 107.83 7.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.6 HD23 HD11 ' B' ' 332' ' ' ILE . 38.8 tp -102.69 119.04 38.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -99.35 103.59 15.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.6 HD11 HD23 ' B' ' 330' ' ' LEU . 3.9 mp -104.62 145.53 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.095 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.88 38.1 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.24 135.81 8.31 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -73.49 -64.37 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -59.54 -35.67 74.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.843 ' HD3' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -60.34 -52.69 64.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.716 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.668 ' CE1' HD13 ' A' ' 330' ' ' LEU . 8.5 t80 -59.25 -45.03 92.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.232 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -55.87 -32.55 63.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.432 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.6 ttp -67.49 -61.52 1.86 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.088 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.476 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 5.0 m-85 -60.24 -26.59 66.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.76 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.43 -36.17 76.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.205 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.01 -31.79 44.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.339 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.947 HD21 HD21 ' C' ' 344' ' ' LEU . 7.3 mt -76.46 -29.89 57.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.602 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.66 ' OD1' HG23 ' A' ' 332' ' ' ILE . 17.6 t30 -75.74 -39.87 56.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.744 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -73.97 -33.7 63.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.725 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.08 -31.63 56.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.768 HD13 ' CG ' ' A' ' 337' ' ' ARG . 4.4 mt -75.61 -29.69 59.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.697 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -71.88 -30.28 65.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.791 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 14.0 mt -66.86 -37.2 84.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -64.36 -31.89 73.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -73.67 -32.54 64.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.98 -33.03 67.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.851 0.358 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.428 ' HB3' ' CD2' ' D' ' 338' ' ' PHE . 20.5 m-85 -142.55 112.57 7.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.55 125.05 48.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.507 ' O ' HD12 ' C' ' 332' ' ' ILE . 5.2 tp -123.08 119.78 31.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -84.3 96.75 9.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.507 HD12 ' O ' ' C' ' 330' ' ' LEU . 3.6 mp -93.52 113.29 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -30.19 66.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -79.52 123.2 6.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.5 ptp85 -70.42 -31.36 68.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.955 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -68.89 -55.35 11.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.4 ttm105 -55.92 -38.38 70.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.695 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.434 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 11.7 t80 -63.26 -47.17 83.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.395 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -54.2 -35.56 62.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.634 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.33 -58.59 5.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.275 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.431 ' CD2' ' CD2' ' D' ' 341' ' ' PHE . 3.4 m-85 -61.27 -30.41 70.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.832 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 23.8 ttp85 -69.9 -35.99 75.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.989 0.423 . . . . 0.0 110.221 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -79.93 -29.88 39.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.324 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.947 HD21 HD21 ' B' ' 344' ' ' LEU . 0.1 OUTLIER -77.53 -30.27 52.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.63 179.703 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -77.28 -39.06 49.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.725 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -30.49 61.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.792 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.77 -32.67 52.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.006 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.57 HD23 ' HD3' ' C' ' 351' ' ' LYS . 51.1 mt -75.69 -31.27 59.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.732 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -72.68 -29.63 63.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.804 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -70.14 -40.19 74.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.57 ' HD3' HD23 ' C' ' 348' ' ' LEU . 1.5 ptmm? -71.6 -34.92 70.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.93 -30.65 62.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.84 -34.82 62.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.434 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 35.6 m-85 -154.87 94.11 1.62 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 6.3 m -61.13 114.85 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.859 HD23 HD11 ' D' ' 332' ' ' ILE . 8.9 tp -107.44 119.21 38.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -104.11 125.18 50.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.859 HD11 HD23 ' D' ' 330' ' ' LEU . 3.8 mp -128.5 136.48 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -99.57 34.21 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.425 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -133.01 142.08 13.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.535 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -75.02 -64.3 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -58.81 -35.16 72.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.727 ' HG2' HG21 ' D' ' 332' ' ' ILE . 2.2 ttp-105 -60.88 -54.03 50.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.6 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.428 ' CD2' ' HB3' ' C' ' 328' ' ' PHE . 8.0 t80 -60.79 -44.86 96.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.035 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.68 -30.52 63.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.641 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -59.08 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.162 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.464 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.0 m-85 -61.09 -29.86 70.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.091 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -31.97 69.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.924 0.392 . . . . 0.0 110.186 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -80.69 -33.6 35.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.215 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.924 HD11 HD11 ' A' ' 344' ' ' LEU . 0.1 OUTLIER -71.95 -32.23 67.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.348 179.433 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.13 -48.1 46.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.477 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.24 -31.16 69.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.81 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -75.75 -31.37 59.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.011 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.79 HD23 ' O ' ' D' ' 344' ' ' LEU . 2.8 mm? -72.78 -33.98 66.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.694 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.25 -31.44 71.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -69.59 -32.82 71.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -64.72 -31.84 73.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -62.0 -31.95 72.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.06 -31.08 69.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.072 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.819 0.342 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.427 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 21.4 m-85 -115.53 116.8 28.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.489 HG23 ' HG3' ' B' ' 331' ' ' GLN . 1.8 m -78.83 127.09 31.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.633 HD23 HD11 ' A' ' 332' ' ' ILE . 18.2 tp -118.91 91.36 3.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.02 97.33 5.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.633 HD11 HD23 ' A' ' 330' ' ' LEU . 4.6 mt -106.46 137.2 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.62 30.97 4.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.601 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -121.42 127.99 7.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.466 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.8 ttp85 -66.59 -65.19 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.68 -36.37 76.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.496 ' HG3' ' CE2' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -59.84 -51.79 68.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.735 179.805 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -59.79 -46.45 89.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.22 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.74 -31.33 62.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.359 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -67.23 -61.52 1.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.101 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.496 ' CE2' ' HG3' ' A' ' 337' ' ' ARG . 7.0 m-85 -58.63 -28.04 65.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -35.31 78.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.961 0.41 . . . . 0.0 110.232 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -80.1 -29.94 39.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.315 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.715 HD21 ' HG ' ' D' ' 344' ' ' LEU . 0.3 OUTLIER -77.17 -30.9 55.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.597 179.684 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -76.76 -39.58 51.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.791 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -75.11 -30.34 60.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.743 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.7 -32.26 46.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.012 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.779 HD23 ' HD3' ' A' ' 351' ' ' LYS . 3.0 mt -77.12 -29.54 54.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.746 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -74.63 -29.93 61.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.6 mt -72.3 -40.49 67.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.779 ' HD3' HD23 ' A' ' 348' ' ' LEU . 0.4 OUTLIER -70.46 -31.36 68.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -72.4 -31.65 65.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.11 -31.55 66.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.91 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.81 0.338 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.412 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 5.7 m-85 -107.71 100.44 9.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.8 m -82.04 139.84 34.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' B' ' 330' ' ' LEU . 13.8 tp -137.59 119.04 14.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.489 ' HG3' HG23 ' A' ' 329' ' ' THR . 31.0 mt-30 -102.69 90.09 3.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.44 ' H ' HD12 ' B' ' 332' ' ' ILE . 3.8 mp -90.09 142.34 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -98.48 32.84 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -120.51 116.07 3.11 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.469 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 23.1 ttp85 -60.25 -52.64 64.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -69.59 -42.53 74.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.594 ' CG ' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -57.66 -45.93 84.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.775 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 12.7 t80 -59.42 -48.07 83.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.496 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -54.73 -33.37 61.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.694 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.0 mtm -67.05 -57.96 5.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.391 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.417 ' CD2' ' CD1' ' A' ' 341' ' ' PHE . 2.5 m-85 -62.16 -29.8 70.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.74 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -70.38 -36.85 74.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.236 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -78.85 -31.15 45.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.332 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.794 ' O ' HD23 ' B' ' 348' ' ' LEU . 0.7 OUTLIER -76.12 -30.56 58.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.575 179.607 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -75.23 -40.75 58.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.768 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -71.72 -31.4 66.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.517 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -75.29 -34.9 61.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.015 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.794 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.7 mm? -72.39 -32.12 66.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.738 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.95 -30.1 67.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -42.9 79.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.542 ' CE ' ' HB2' ' C' ' 347' ' ' ALA . 0.1 OUTLIER -60.17 -31.15 69.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -61.98 -36.93 82.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.0 -31.34 72.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.094 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.411 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 8.0 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.85 0.357 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -153.06 114.32 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.57 143.02 50.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.468 HD21 HD11 ' C' ' 332' ' ' ILE . 15.9 tp -140.95 102.06 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.711 ' HG3' HG23 ' D' ' 329' ' ' THR . 6.6 mt-30 -102.69 95.98 6.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.468 HD11 HD21 ' C' ' 330' ' ' LEU . 23.5 mt -106.64 152.96 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -105.21 36.32 2.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -125.11 112.39 1.71 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.437 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -64.19 -42.4 96.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -73.0 -46.58 51.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -57.2 -43.14 82.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.703 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.595 ' CE1' HD13 ' D' ' 330' ' ' LEU . 13.0 t80 -61.1 -48.86 79.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.419 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -54.27 -33.24 58.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.647 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.2 ttm -66.77 -58.02 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.346 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.432 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 3.4 m-85 -60.13 -30.56 69.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.693 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.38 -38.26 87.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.191 179.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -78.14 -32.16 50.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.267 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.688 HD22 HD11 ' B' ' 344' ' ' LEU . 61.5 mt -74.84 -29.78 61.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.458 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -73.82 -43.76 57.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.58 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.565 ' O ' HD23 ' C' ' 350' ' ' LEU . 4.4 tt0 -69.45 -34.64 74.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.709 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.542 ' HB2' ' CE ' ' B' ' 351' ' ' LYS . . . -71.09 -33.43 70.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.519 HD23 ' O ' ' C' ' 344' ' ' LEU . 1.7 mm? -68.9 -39.19 79.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.669 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -61.98 -31.79 72.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.773 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.565 HD23 ' O ' ' C' ' 346' ' ' GLU . 4.0 mm? -68.86 -52.64 27.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.732 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -29.68 69.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -76.03 -30.85 58.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.31 -31.06 65.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.782 0.325 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -132.15 108.81 9.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.711 HG23 ' HG3' ' C' ' 331' ' ' GLN . 0.2 OUTLIER -77.49 126.38 30.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.77 HD23 HD11 ' D' ' 332' ' ' ILE . 14.6 tp -131.96 112.34 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -87.98 93.65 9.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.77 HD11 HD23 ' D' ' 330' ' ' LEU . 27.4 mm -79.31 134.09 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.411 ' HG3' ' CE2' ' C' ' 327' ' ' TYR . 9.6 ttp180 -98.67 30.8 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.539 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -132.42 127.22 4.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.431 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.9 ptt-85 -70.28 -47.69 60.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.788 0.328 . . . . 0.0 110.928 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -39.39 61.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.0 mtm105 -62.0 -44.71 96.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.9 0.381 . . . . 0.0 110.548 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.422 ' CE2' HD13 ' C' ' 330' ' ' LEU . 12.4 t80 -61.31 -48.07 83.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.31 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -54.94 -32.48 61.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.564 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.526 ' O ' HD12 ' D' ' 344' ' ' LEU . 0.3 OUTLIER -67.13 -59.03 3.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.252 179.474 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.432 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 3.6 m-85 -60.21 -29.68 68.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.742 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -67.47 -37.82 83.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.138 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -78.66 -32.04 47.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.203 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.715 ' HG ' HD21 ' A' ' 344' ' ' LEU . 1.5 mp -75.31 -30.47 60.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.474 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -73.68 -42.59 61.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.671 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.716 ' O ' HD23 ' D' ' 350' ' ' LEU . 5.0 mm-40 -72.34 -32.4 66.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.66 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.12 -30.75 62.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.913 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.446 HD23 ' O ' ' D' ' 344' ' ' LEU . 1.4 mm? -72.74 -39.07 67.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.684 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -68.95 -34.54 75.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.716 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.7 mm? -67.04 -31.54 72.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.84 -32.38 73.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.803 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.69 -31.71 70.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.5 -31.68 71.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.408 ' CE1' ' HB3' ' B' ' 333' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.784 0.326 . . . . 0.0 110.904 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -144.62 92.95 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.481 HG23 ' HG3' ' B' ' 331' ' ' GLN . 0.2 OUTLIER -80.23 128.7 33.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.544 HD22 ' CD2' ' B' ' 338' ' ' PHE . 0.6 OUTLIER -132.37 115.77 16.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.857 ' HG3' HG23 ' B' ' 329' ' ' THR . 2.9 mt-30 -85.91 99.51 11.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -89.59 147.0 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.06 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.415 ' HG2' ' CD1' ' B' ' 327' ' ' TYR . 18.0 mtm180 -103.51 35.88 2.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.44 138.3 10.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.513 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 7.9 ttt-85 -75.48 -64.49 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -59.62 -36.61 76.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.567 ' HD3' HD13 ' B' ' 348' ' ' LEU . 22.8 ttp180 -60.39 -53.37 58.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.589 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.605 ' CE2' HD13 ' B' ' 330' ' ' LEU . 8.1 t80 -61.47 -45.25 95.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.047 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.0 -31.39 65.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.439 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.59 -59.43 3.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.303 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.483 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 2.1 m-85 -61.75 -28.06 69.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.682 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 15.6 ttp85 -70.41 -38.52 74.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.345 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -78.33 -32.13 49.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.379 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.621 ' CD2' HD22 ' D' ' 344' ' ' LEU . 7.9 mt -77.61 -28.69 51.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.567 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -76.6 -37.76 55.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.707 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.748 ' O ' HD23 ' A' ' 350' ' ' LEU . 2.4 tp10 -74.0 -32.79 63.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.792 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.459 ' HB2' ' HD2' ' D' ' 351' ' ' LYS . . . -75.55 -31.66 60.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.026 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.718 HD13 ' HG3' ' B' ' 337' ' ' ARG . 11.6 mt -75.1 -33.78 61.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -71.91 -31.48 66.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.748 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.7 mm? -70.15 -37.46 75.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.602 ' HE3' ' HB2' ' D' ' 347' ' ' ALA . 2.6 ttmt -64.19 -31.56 72.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.06 -31.44 72.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.42 -37.03 68.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.415 ' CD1' ' HG2' ' A' ' 333' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.815 0.34 . . . . 0.0 110.897 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -150.03 127.19 11.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.857 HG23 ' HG3' ' A' ' 331' ' ' GLN . 0.2 OUTLIER -97.61 112.89 24.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.605 HD13 ' CE2' ' A' ' 338' ' ' PHE . 15.4 tp -109.05 122.22 46.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.481 ' HG3' HG23 ' A' ' 329' ' ' THR . 43.7 mt-30 -94.44 111.58 23.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.544 HG12 HD21 ' A' ' 330' ' ' LEU . 24.4 mm -103.5 119.63 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.408 ' HB3' ' CE1' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -98.63 32.87 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.495 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -142.32 125.87 2.78 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -60.34 -49.14 78.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.337 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -69.82 -39.85 76.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.718 ' HG3' HD13 ' A' ' 348' ' ' LEU . 3.5 ttm180 -59.28 -51.62 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.69 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.544 ' CD2' HD22 ' A' ' 330' ' ' LEU . 8.7 t80 -59.83 -45.01 93.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.265 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -55.82 -33.55 64.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.483 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.7 ttm -66.02 -60.24 3.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.183 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.483 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 6.9 m-85 -58.16 -29.15 65.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -36.79 84.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.967 0.413 . . . . 0.0 110.114 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.65 -31.91 47.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.307 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.804 HD21 HD21 ' C' ' 344' ' ' LEU . 0.2 OUTLIER -74.69 -31.9 62.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.45 179.541 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -72.56 -43.16 63.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.633 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.502 ' O ' HD12 ' B' ' 350' ' ' LEU . 1.5 mp0 -70.57 -36.11 73.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.621 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.11 -30.84 65.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.567 HD13 ' HD3' ' A' ' 337' ' ' ARG . 10.1 mt -71.37 -37.42 71.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.705 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -64.62 -30.95 71.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.502 HD12 ' O ' ' B' ' 346' ' ' GLU . 1.2 mp -66.8 -46.86 73.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -59.32 -30.87 68.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.29 -31.56 58.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.29 -35.29 55.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -129.01 128.74 44.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.28 101.01 11.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.439 HD13 ' CE1' ' D' ' 338' ' ' PHE . 12.2 tp -93.69 106.28 18.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -83.88 113.71 21.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.655 HG23 ' OD1' ' D' ' 345' ' ' ASN . 4.9 mt -116.61 145.38 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.417 ' HG3' ' CE1' ' D' ' 327' ' ' TYR . 1.8 ttm180 -98.16 35.62 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -138.52 120.61 1.99 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 13.2 ttt85 -68.02 -33.06 73.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.21 -48.67 27.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -55.89 -43.59 77.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.716 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.516 ' CD1' HD22 ' D' ' 330' ' ' LEU . 12.8 t80 -61.29 -49.16 78.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.378 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.46 -32.62 58.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.641 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.558 ' O ' HD12 ' C' ' 344' ' ' LEU . 1.0 OUTLIER -66.7 -58.07 5.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.316 179.527 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.453 ' HE2' HD13 ' C' ' 332' ' ' ILE . 2.8 m-85 -61.91 -31.61 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.716 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -36.15 75.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.152 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -80.09 -31.86 39.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.16 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.804 HD21 HD21 ' B' ' 344' ' ' LEU . 0.7 OUTLIER -76.03 -30.62 58.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.476 179.514 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -74.72 -41.93 59.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.645 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.453 ' O ' HD23 ' C' ' 350' ' ' LEU . 8.0 tt0 -71.45 -34.62 70.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.685 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.95 -30.73 65.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.834 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.417 HD22 HH21 ' D' ' 337' ' ' ARG . 0.5 OUTLIER -71.09 -41.06 71.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.686 179.84 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.35 -31.45 72.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.453 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.4 mm? -71.51 -33.98 69.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -66.7 -35.31 79.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -66.54 -31.85 72.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.24 -31.2 54.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.487 ' OE1' HD23 ' B' ' 350' ' ' LEU . 2.8 mt-30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.417 ' CE1' ' HG3' ' C' ' 333' ' ' ARG . 8.4 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.852 0.358 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -147.86 152.64 37.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 66.5 m -139.25 134.43 32.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.895 HD12 HD11 ' D' ' 332' ' ' ILE . 0.6 OUTLIER -130.99 117.83 19.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.36 84.55 6.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.895 HD11 HD12 ' D' ' 330' ' ' LEU . 3.7 mp -77.47 141.6 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -97.72 38.13 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -146.14 125.33 2.24 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.455 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -74.58 -33.03 62.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 0.0 111.039 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -71.28 -62.72 1.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.417 HH21 HD22 ' C' ' 348' ' ' LEU . 2.0 ptp85 -52.87 -43.0 65.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.439 ' CE1' HD13 ' C' ' 330' ' ' LEU . 4.0 t80 -61.04 -39.79 91.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.299 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -56.65 -41.89 77.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.618 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.1 mtm -62.14 -55.89 24.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.412 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -59.33 -31.38 69.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.788 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -37.23 86.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.951 0.405 . . . . 0.0 110.267 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -77.75 -32.39 52.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.299 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.788 ' O ' HD23 ' D' ' 348' ' ' LEU . 82.8 mt -74.13 -29.48 61.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.595 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.655 ' OD1' HG23 ' C' ' 332' ' ' ILE . 51.8 t30 -74.53 -43.86 53.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.722 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -71.58 -31.93 67.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.806 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.602 ' HB2' ' HE3' ' A' ' 351' ' ' LYS . . . -75.89 -31.1 59.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.983 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.836 HD13 ' HD3' ' D' ' 351' ' ' LYS . 3.1 mm? -73.76 -34.09 64.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.733 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -68.63 -31.36 70.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.97 -47.22 53.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.836 ' HD3' HD13 ' D' ' 348' ' ' LEU . 0.1 OUTLIER -69.51 -29.43 67.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -75.98 -30.91 58.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.73 -36.3 65.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.406 ' CE1' ' HB3' ' B' ' 333' ' ' ARG . 23.4 m-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.794 0.331 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -134.71 98.56 4.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.582 HG22 ' CG2' ' B' ' 329' ' ' THR . 0.2 OUTLIER -63.01 143.9 57.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.907 HD23 HD11 ' A' ' 332' ' ' ILE . 14.7 tp -144.31 100.72 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -77.96 83.89 4.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.907 HD11 HD23 ' A' ' 330' ' ' LEU . 4.8 mt -88.4 126.87 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 9.5 ttp85 -87.53 72.81 9.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -168.64 113.07 0.51 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.41 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 11.7 ptp180 -62.4 -41.24 98.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -75.76 -44.7 40.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.651 ' CG ' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -57.34 -48.61 78.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.685 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.462 ' CE1' HD13 ' B' ' 330' ' ' LEU . 10.8 t80 -60.45 -46.83 88.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.242 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.46 -32.86 63.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.548 ' O ' HD12 ' A' ' 344' ' ' LEU . 1.3 ttp -67.1 -59.52 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.189 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.581 ' HE1' HD23 ' B' ' 344' ' ' LEU . 3.3 m-85 -59.92 -29.15 68.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.799 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -41.02 79.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.995 0.426 . . . . 0.0 110.168 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -76.11 -31.54 58.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.217 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.706 ' CD2' HD21 ' D' ' 344' ' ' LEU . 0.9 OUTLIER -73.7 -31.58 63.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.497 179.527 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.441 ' ND2' HD21 ' B' ' 330' ' ' LEU . 14.7 m-20 -71.57 -44.04 65.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.802 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.07 -34.76 73.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.779 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.45 -36.7 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.701 HD13 ' HD2' ' B' ' 337' ' ' ARG . 10.8 mt -77.08 -27.14 54.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.64 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.92 -29.07 58.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.662 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.07 -37.6 78.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.774 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 7.0 mtpp -65.08 -31.33 72.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.91 -32.11 73.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.45 -34.26 73.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.765 0.317 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.41 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 6.1 m-85 -110.89 109.98 20.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.582 ' CG2' HG22 ' A' ' 329' ' ' THR . 1.7 m -74.68 132.43 41.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.462 HD13 ' CE1' ' A' ' 338' ' ' PHE . 6.2 tp -134.59 105.2 6.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -100.77 114.99 29.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.775 HG21 ' HB3' ' B' ' 337' ' ' ARG . 3.1 mp -101.1 149.38 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.406 ' HB3' ' CE1' ' A' ' 327' ' ' TYR . 5.7 ptp180 -98.8 31.15 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -143.46 120.53 1.52 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -32.04 70.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.35 -46.18 23.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.775 ' HB3' HG21 ' B' ' 332' ' ' ILE . 1.5 tpp180 -58.11 -50.15 74.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.665 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.704 ' CE2' HD13 ' A' ' 330' ' ' LEU . 7.4 t80 -60.48 -43.8 96.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.176 179.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -55.4 -34.75 64.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.604 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 24.1 ttm -65.7 -60.08 3.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.23 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.442 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 7.4 m-85 -58.75 -28.53 65.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -36.84 84.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.987 0.422 . . . . 0.0 110.056 179.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -78.3 -31.08 48.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.319 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.84 HD11 HD11 ' C' ' 344' ' ' LEU . 2.3 tp -75.71 -30.7 59.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.587 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -74.53 -41.45 60.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.69 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.484 ' O ' HD23 ' B' ' 350' ' ' LEU . 16.5 tt0 -72.15 -35.05 68.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.76 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.7 -31.87 59.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.651 HD13 ' CG ' ' A' ' 337' ' ' ARG . 4.2 mt -74.44 -29.27 61.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.752 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -70.41 -31.64 68.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.72 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.484 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.8 mm? -71.69 -49.45 39.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.711 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -28.94 66.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.739 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -75.63 -30.44 59.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.767 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.57 -30.94 67.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.059 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.415 ' CE1' ' HG3' ' D' ' 333' ' ' ARG . 88.7 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.849 0.357 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -140.35 104.39 4.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.42 124.31 27.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.863 HD23 HD11 ' C' ' 332' ' ' ILE . 11.7 tp -118.2 103.88 10.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.506 ' HG3' HG22 ' D' ' 329' ' ' THR . 8.8 mt-30 -86.91 83.99 7.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.863 HD11 HD23 ' C' ' 330' ' ' LEU . 4.6 mt -89.22 143.55 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.422 ' HG2' ' CD1' ' D' ' 327' ' ' TYR . 38.5 mtm180 -101.04 37.59 1.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -138.91 135.32 7.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.33 -43.88 39.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.28 -41.3 66.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.456 ' HG3' ' CZ ' ' C' ' 341' ' ' PHE . 8.1 ttp180 -59.64 -52.7 64.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.616 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -62.4 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.013 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -31.89 67.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.383 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.27 -60.24 2.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.208 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.456 ' CZ ' ' HG3' ' C' ' 337' ' ' ARG . 3.3 m-85 -62.42 -28.61 69.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -71.68 -34.78 69.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.956 0.408 . . . . 0.0 110.286 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -80.9 -31.38 35.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.245 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.84 HD11 HD11 ' B' ' 344' ' ' LEU . 0.2 OUTLIER -76.93 -29.39 55.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.543 179.554 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.62 HD21 HG23 ' D' ' 332' ' ' ILE . 61.3 t-20 -76.91 -41.31 44.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.7 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.84 -31.03 61.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.672 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.36 -30.79 48.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.967 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.486 HD13 ' HG3' ' D' ' 337' ' ' ARG . 6.8 mt -76.64 -31.41 57.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.74 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -72.99 -29.87 63.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -70.1 -37.63 75.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -62.79 -32.11 73.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -71.83 -32.18 67.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.86 -37.11 78.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.422 ' CD1' ' HG2' ' C' ' 333' ' ' ARG . 20.7 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.791 0.329 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -147.04 98.23 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.506 HG22 ' HG3' ' C' ' 331' ' ' GLN . 0.8 OUTLIER -71.39 139.37 49.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.447 HD23 HD11 ' D' ' 332' ' ' ILE . 28.7 tp -131.74 110.3 10.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -96.85 90.16 5.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.62 HG23 HD21 ' C' ' 345' ' ' ASN . 3.6 mp -91.26 140.54 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.415 ' HG3' ' CE1' ' C' ' 327' ' ' TYR . 0.0 OUTLIER -98.77 33.42 2.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.01 125.6 4.34 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -75.04 -34.52 61.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.349 . . . . 0.0 110.934 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -75.65 -53.64 8.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.486 ' HG3' HD13 ' C' ' 348' ' ' LEU . 1.2 ttm105 -55.74 -41.74 74.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.72 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -62.12 -47.08 86.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.382 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -54.4 -35.14 62.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.681 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.9 ttp -65.5 -58.32 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.313 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.413 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 4.9 m-85 -59.24 -30.9 68.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.809 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.33 -39.4 89.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.093 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -76.86 -29.39 55.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.062 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.706 HD21 ' CD2' ' A' ' 344' ' ' LEU . 0.1 OUTLIER -74.36 -39.35 62.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.535 179.473 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -69.5 -39.19 77.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.765 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.06 -30.61 62.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.05 -29.79 58.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.401 HD13 ' HD3' ' C' ' 337' ' ' ARG . 13.9 mt -75.06 -39.01 61.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.789 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.42 -27.24 65.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' D' ' 350' ' ' LEU . 0.2 OUTLIER -71.65 -41.1 69.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -30.17 68.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -70.71 -31.8 68.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.24 -32.31 73.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.81 0.338 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -143.57 92.89 2.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 2.9 m -60.87 150.42 33.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.845 HD23 HD11 ' A' ' 332' ' ' ILE . 15.2 tp -144.18 107.98 4.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -89.79 83.94 6.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.845 HD11 HD23 ' A' ' 330' ' ' LEU . 3.8 mp -86.63 130.22 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -98.76 32.61 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.517 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -134.63 109.66 0.8 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.518 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -60.25 -31.65 70.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.328 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -75.99 -54.08 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.5 ttm105 -56.32 -38.1 70.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.715 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -64.16 -48.61 75.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.329 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -54.43 -32.97 58.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.612 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.478 ' O ' HD12 ' A' ' 344' ' ' LEU . 3.2 mtp -66.72 -58.7 4.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.285 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.417 ' HB3' ' CG ' ' B' ' 341' ' ' PHE . 3.2 m-85 -60.55 -30.14 69.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.796 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -68.64 -37.14 79.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.219 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -79.12 -30.97 44.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.214 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.884 ' CD2' HD21 ' D' ' 344' ' ' LEU . 1.6 mp -75.78 -32.27 59.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.46 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.442 ' ND2' HD12 ' B' ' 332' ' ' ILE . 31.5 t-20 -73.25 -41.58 63.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.626 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -36.79 68.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.625 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.7 -31.27 64.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.789 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.8 HD13 ' HD3' ' B' ' 337' ' ' ARG . 1.5 mt -70.68 -37.27 73.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.584 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.21 -26.43 47.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.516 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 350' ' ' LEU . 9.9 tp -78.34 -31.37 48.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.816 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -33.38 65.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.82 -31.56 70.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.46 -43.87 68.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.802 0.334 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -102.32 103.63 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.17 152.81 32.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.473 ' CG ' HD11 ' B' ' 332' ' ' ILE . 13.7 tp -154.2 98.49 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -89.15 108.95 19.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.482 HG22 ' H ' ' B' ' 334' ' ' GLY . 28.0 mm -103.47 137.76 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -98.77 30.65 3.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.482 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -132.04 128.73 5.37 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.505 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -70.36 -47.74 59.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.53 -44.52 62.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.8 ' HD3' HD13 ' A' ' 348' ' ' LEU . 1.0 OUTLIER -58.71 -51.36 70.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.618 179.783 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.671 ' CE2' HD13 ' A' ' 330' ' ' LEU . 7.3 t80 -62.41 -43.76 98.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.0 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -57.31 -32.08 66.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.366 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 5.8 ttm -67.12 -60.97 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.159 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.457 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 5.4 m-85 -59.96 -27.28 66.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -68.82 -34.88 76.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.925 0.393 . . . . 0.0 110.218 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -79.29 -31.96 43.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.319 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.801 ' O ' HD23 ' B' ' 348' ' ' LEU . 0.5 OUTLIER -75.29 -32.0 60.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.484 179.578 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.616 ' OD1' HG23 ' A' ' 332' ' ' ILE . 3.6 t30 -73.58 -41.39 62.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.666 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.468 ' O ' HD12 ' B' ' 350' ' ' LEU . 36.8 mt-10 -72.27 -31.15 65.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.709 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.432 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -73.56 -31.12 63.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.945 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.801 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.5 mm? -72.57 -41.9 65.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.87 -30.97 70.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.468 HD12 ' O ' ' B' ' 346' ' ' GLU . 2.3 mt -69.62 -35.93 75.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -63.37 -32.93 74.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -66.97 -36.34 81.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.74 -35.74 78.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.842 0.353 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -117.4 102.31 9.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.406 HG22 ' HG3' ' D' ' 331' ' ' GLN . 0.8 OUTLIER -68.82 134.79 50.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.573 ' O ' HD12 ' C' ' 332' ' ' ILE . 17.6 tp -130.99 109.54 10.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -86.31 100.46 12.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.573 HD12 ' O ' ' C' ' 330' ' ' LEU . 3.8 mp -102.57 141.7 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -98.87 34.67 2.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.69 123.53 3.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.61 -64.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -60.33 -38.39 83.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.82 ' HG2' HD22 ' D' ' 348' ' ' LEU . 3.0 tpt180 -59.23 -51.39 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.718 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.629 ' CE1' HD13 ' D' ' 330' ' ' LEU . 9.7 t80 -60.81 -46.55 90.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.131 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -55.85 -32.41 63.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.393 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 30.5 ttm -66.03 -60.18 3.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.199 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.598 ' HE2' HD13 ' D' ' 344' ' ' LEU . 5.1 m-85 -60.48 -31.26 70.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.799 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -35.03 77.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.981 0.42 . . . . 0.0 110.122 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -79.26 -30.7 43.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.134 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.798 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.8 OUTLIER -73.08 -32.19 64.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.494 179.586 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -73.76 -46.47 45.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.585 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.92 -29.24 65.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.606 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.432 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -75.29 -32.85 61.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.008 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.798 HD23 ' O ' ' C' ' 344' ' ' LEU . 2.9 mm? -72.09 -37.42 69.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.749 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.58 -30.25 70.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -37.68 88.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -60.01 -38.96 84.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.87 -40.58 97.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.83 -33.66 76.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.065 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -137.34 118.49 14.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 1.8 m -82.25 116.33 21.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.819 HD23 HD11 ' D' ' 332' ' ' ILE . 20.1 tp -106.03 112.34 25.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.406 ' HG3' HG22 ' C' ' 329' ' ' THR . 6.0 mt-30 -90.87 84.08 5.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.819 HD11 HD23 ' D' ' 330' ' ' LEU . 3.8 mp -86.92 119.82 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -85.58 76.49 10.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 177.19 140.24 3.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.459 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -76.3 -51.08 12.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -68.0 -39.23 83.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.451 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 3.9 tpp180 -60.36 -53.22 60.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.624 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -60.47 -42.88 97.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.167 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -56.93 -34.26 67.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.494 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.3 ttp -66.6 -59.95 3.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.219 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.451 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 3.6 m-85 -60.77 -27.85 68.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.676 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -67.5 -33.69 75.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.106 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.93 -35.28 59.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.394 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.884 HD21 ' CD2' ' A' ' 344' ' ' LEU . 7.1 mt -71.83 -36.59 70.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.495 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.447 ' OD1' HG23 ' C' ' 332' ' ' ILE . 54.6 t30 -67.24 -40.36 86.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.448 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -68.46 -45.91 71.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.582 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.42 -28.62 68.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.7 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.82 HD22 ' HG2' ' C' ' 337' ' ' ARG . 10.6 tp -68.73 -39.43 80.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.77 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -61.79 -33.79 74.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.38 -32.66 70.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.803 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.72 -32.26 73.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.33 -32.23 73.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.74 -30.91 46.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.796 0.332 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -147.42 91.27 1.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.588 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -70.97 138.15 49.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.733 HD23 HD11 ' A' ' 332' ' ' ILE . 17.9 tp -138.43 114.27 9.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -96.13 84.91 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.733 HD11 HD23 ' A' ' 330' ' ' LEU . 3.8 mp -82.53 136.85 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -98.42 35.04 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -134.25 122.43 2.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -65.78 -44.08 86.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -72.4 -42.77 64.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.776 ' HG3' HD13 ' B' ' 348' ' ' LEU . 6.4 ttm180 -57.65 -48.44 79.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.701 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.717 ' CE1' HD13 ' B' ' 330' ' ' LEU . 11.3 t80 -59.16 -46.77 87.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.436 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -55.27 -33.51 63.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.672 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.3 ttp -67.17 -58.33 5.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.368 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.473 ' CD2' ' CD1' ' B' ' 341' ' ' PHE . 2.8 m-85 -61.68 -28.69 69.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.759 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttt-85 -69.06 -34.58 75.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.261 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -79.78 -32.81 40.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.325 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.983 HD21 HD21 ' D' ' 344' ' ' LEU . 1.2 mt -75.31 -29.55 60.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.508 179.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -75.42 -42.44 53.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.709 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.492 ' O ' HD23 ' A' ' 350' ' ' LEU . 0.5 OUTLIER -72.28 -32.14 66.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.706 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.34 -30.46 60.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.013 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.529 HD23 ' HD2' ' A' ' 351' ' ' LYS . 9.1 mt -74.38 -35.52 63.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -71.44 -28.67 64.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 346' ' ' GLU . 2.9 mm? -73.78 -42.45 60.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.529 ' HD2' HD23 ' A' ' 348' ' ' LEU . 17.3 ptpt -68.19 -30.59 69.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.81 -31.9 70.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -79.41 -30.95 42.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.075 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.835 0.35 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -136.55 103.12 5.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.588 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -73.61 106.18 5.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.948 HD23 HD11 ' B' ' 332' ' ' ILE . 21.3 tp -104.02 97.64 7.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -77.71 96.73 4.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.948 HD11 HD23 ' B' ' 330' ' ' LEU . 4.8 mt -101.12 150.13 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -110.22 42.39 1.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.93 120.68 1.76 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.85 -34.64 60.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -71.43 -58.61 3.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.428 ' HB3' HD13 ' A' ' 348' ' ' LEU . 10.1 ptp180 -54.77 -45.21 74.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.788 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -59.94 -39.37 85.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.323 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.03 -41.91 79.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.663 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.465 ' O ' HD12 ' B' ' 344' ' ' LEU . 1.1 ttp -62.09 -55.5 28.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.437 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.473 ' CD1' ' CD2' ' A' ' 341' ' ' PHE . 3.8 m-85 -58.85 -31.57 68.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.838 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -64.12 -36.5 84.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.268 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -78.84 -31.87 45.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.299 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.759 HD21 HD21 ' C' ' 344' ' ' LEU . 2.2 mp -75.79 -31.26 59.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.539 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.6 ' OD1' HG23 ' A' ' 332' ' ' ILE . 4.7 t30 -74.09 -40.74 62.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.706 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -72.83 -35.22 67.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.2 -29.79 54.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.776 HD13 ' HG3' ' A' ' 337' ' ' ARG . 15.4 mt -79.69 -24.49 41.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.8 -34.77 33.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.543 ' C ' HD12 ' B' ' 350' ' ' LEU . 3.9 pp -78.11 -30.33 49.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.477 ' N ' HD12 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -79.92 -29.15 39.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.785 179.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -78.02 -30.67 50.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.11 -31.23 61.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.953 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.407 ' CE1' ' HG3' ' D' ' 333' ' ' ARG . 24.7 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.854 0.359 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -105.55 117.59 34.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.6 m -83.86 130.89 34.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.527 HD23 HD11 ' C' ' 332' ' ' ILE . 27.7 tp -130.36 101.7 5.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.444 HE21 HG23 ' D' ' 329' ' ' THR . 2.1 tt0 -85.62 90.11 7.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.527 HD11 HD23 ' C' ' 330' ' ' LEU . 4.4 mt -87.06 153.14 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.057 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.2 37.51 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.48 126.68 4.41 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.31 -40.26 58.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -73.65 -50.08 22.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 mtm105 -57.07 -41.7 79.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.738 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.7 ' CE2' HD13 ' D' ' 330' ' ' LEU . 11.5 t80 -61.38 -47.3 86.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.421 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.48 -34.77 62.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.713 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 3.4 ttp -66.52 -58.34 5.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.326 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.411 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 2.7 m-85 -62.38 -29.82 70.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.666 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -69.2 -33.43 73.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.191 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -78.9 -32.64 45.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.344 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.759 HD21 HD21 ' B' ' 344' ' ' LEU . 0.6 OUTLIER -75.93 -34.92 59.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.495 179.617 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.654 ' OD1' HG23 ' D' ' 332' ' ' ILE . 21.9 m-80 -71.63 -37.23 70.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.426 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.1 -43.3 65.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.592 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.0 -28.57 65.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.672 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.8 HD22 ' HG2' ' D' ' 337' ' ' ARG . 6.1 tp -71.29 -36.96 71.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.725 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -65.37 -31.5 72.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.19 -31.69 64.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -69.12 -31.45 70.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.3 -31.53 72.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.37 -30.75 62.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.418 ' CD1' ' HG2' ' C' ' 331' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.846 0.355 . . . . 0.0 110.847 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -140.34 140.57 35.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.444 HG23 HE21 ' C' ' 331' ' ' GLN . 0.2 OUTLIER -108.31 121.21 44.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.7 HD13 ' CE2' ' C' ' 338' ' ' PHE . 13.9 tp -124.48 120.54 32.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -93.48 111.94 23.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.654 HG23 ' OD1' ' C' ' 345' ' ' ASN . 3.8 mp -102.95 124.54 57.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.407 ' HG3' ' CE1' ' C' ' 327' ' ' TYR . 21.3 ttp180 -97.76 74.52 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.52 138.05 2.55 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 8.5 ttp85 -72.78 -47.9 42.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -70.71 -40.63 72.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.8 ' HG2' HD22 ' C' ' 348' ' ' LEU . 2.0 tpp180 -59.12 -51.43 70.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.668 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -60.33 -45.05 94.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.172 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.17 -32.76 64.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.455 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.541 ' O ' HD12 ' D' ' 344' ' ' LEU . 13.4 ttm -67.02 -60.85 2.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.138 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.524 ' HE2' HD13 ' C' ' 344' ' ' LEU . 4.6 m-85 -60.62 -28.16 68.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.745 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -69.33 -36.6 77.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.01 0.433 . . . . 0.0 110.13 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -77.82 -32.27 52.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.294 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.983 HD21 HD21 ' A' ' 344' ' ' LEU . 1.9 mp -73.66 -31.16 63.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.501 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -72.9 -44.15 61.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.71 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -70.6 -33.79 71.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.742 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.85 -33.43 62.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.769 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.1 mm? -71.38 -31.73 67.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.67 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -66.82 -31.68 72.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.5 mt -73.17 -39.23 65.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -68.11 -31.26 70.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -67.81 -31.61 71.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.13 72.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.433 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 29.5 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.839 0.352 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -137.04 110.94 8.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.57 HG23 ' HG3' ' B' ' 331' ' ' GLN . 2.6 m -90.73 141.72 28.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.725 HD23 HD11 ' A' ' 332' ' ' ILE . 21.1 tp -137.64 108.39 6.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.493 ' HG2' HG22 ' B' ' 329' ' ' THR . 3.8 mm-40 -79.87 84.14 5.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.725 HD11 HD23 ' A' ' 330' ' ' LEU . 5.0 mt -86.76 123.7 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -91.25 75.32 6.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -166.22 128.65 1.79 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -74.31 -46.32 41.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.807 0.337 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -74.68 -45.83 41.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.648 ' CG ' HD13 ' B' ' 348' ' ' LEU . 4.3 ttm180 -57.17 -47.99 79.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.737 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -60.04 -45.93 91.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.355 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -55.38 -34.34 64.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.573 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.33 -58.88 4.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.207 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.411 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.3 m-85 -59.2 -29.52 67.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.644 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -64.99 -39.91 94.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.947 0.403 . . . . 0.0 110.153 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -75.52 -33.52 60.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.287 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.525 HD22 HD11 ' D' ' 344' ' ' LEU . 86.6 mt -72.22 -29.14 63.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.407 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.401 HD21 HG21 ' B' ' 332' ' ' ILE . 0.8 OUTLIER -72.18 -46.8 54.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.668 179.805 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -70.19 -31.18 68.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.781 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.97 -34.01 51.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.038 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.651 HD13 ' HG2' ' B' ' 337' ' ' ARG . 13.1 mt -77.74 -30.21 51.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.767 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -77.57 -29.88 52.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 10.0 mt -74.31 -31.71 62.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -69.57 -31.02 68.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.95 -31.62 63.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.25 -40.05 62.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.842 0.353 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.414 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 4.3 m-85 -129.53 140.74 51.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.493 HG22 ' HG2' ' A' ' 331' ' ' GLN . 0.8 OUTLIER -103.3 149.33 24.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.868 ' CD2' HD11 ' B' ' 332' ' ' ILE . 11.7 tp -132.11 90.16 2.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.57 ' HG3' HG23 ' A' ' 329' ' ' THR . 24.6 mp0 -84.95 96.26 9.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.868 HD11 ' CD2' ' B' ' 330' ' ' LEU . 4.8 mt -112.62 144.79 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.433 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -98.12 35.6 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.07 126.78 4.93 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -73.44 -35.45 65.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.792 0.33 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -73.43 -46.89 45.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.651 ' HG2' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -56.79 -47.07 81.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.679 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.409 ' CE1' HD13 ' A' ' 330' ' ' LEU . 10.6 t80 -59.15 -46.46 88.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.382 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -54.23 -35.18 62.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.62 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.8 ttm -65.96 -59.31 3.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.216 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.483 ' HE2' HD13 ' B' ' 332' ' ' ILE . 4.5 m-85 -61.05 -29.75 69.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.769 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -36.78 78.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.931 0.396 . . . . 0.0 110.078 179.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -80.01 -30.6 39.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.201 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.866 HD21 HD11 ' C' ' 344' ' ' LEU . 11.1 mt -76.94 -30.01 55.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.588 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.656 ' OD1' HG23 ' A' ' 332' ' ' ILE . 18.6 t30 -76.37 -40.58 50.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.659 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -74.3 -31.96 62.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.724 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.594 ' HB2' ' HE2' ' C' ' 351' ' ' LYS . . . -77.38 -31.11 54.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.953 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.753 HD12 ' O ' ' B' ' 344' ' ' LEU . 0.4 OUTLIER -75.55 -32.2 60.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.694 179.839 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -74.08 -29.19 61.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.754 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.55 -36.53 73.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.613 ' HD2' ' HB2' ' C' ' 347' ' ' ALA . 10.7 mtpp -66.44 -31.94 73.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -64.87 -31.89 73.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.86 -34.11 68.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.069 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.788 0.328 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -134.36 129.84 36.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.93 101.12 11.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.703 ' CD2' HD11 ' C' ' 332' ' ' ILE . 5.8 tp -83.69 109.35 17.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.726 ' HG2' HG23 ' D' ' 329' ' ' THR . 75.1 mt-30 -108.11 124.85 50.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.703 HD11 ' CD2' ' C' ' 330' ' ' LEU . 3.8 mp -130.77 153.57 39.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ptt-85 -98.56 32.15 2.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.93 124.27 3.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.511 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -69.18 -33.64 73.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.737 0.304 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -76.27 -51.52 11.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.646 ' CG ' HD13 ' D' ' 348' ' ' LEU . 5.0 mtm180 -55.95 -43.8 77.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.67 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -61.58 -47.54 85.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.347 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -54.84 -33.5 61.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.662 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttm -66.58 -58.39 5.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.318 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.431 ' CD2' ' CD2' ' D' ' 341' ' ' PHE . 3.7 m-85 -60.45 -30.12 69.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.803 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.442 ' HA ' HD21 ' D' ' 330' ' ' LEU . 0.0 OUTLIER -67.71 -36.81 81.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.183 179.439 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -79.11 -31.1 44.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.201 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.866 HD11 HD21 ' B' ' 344' ' ' LEU . 0.1 OUTLIER -75.76 -32.55 60.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.477 179.557 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.515 ' OD1' HG23 ' D' ' 332' ' ' ILE . 51.6 t30 -73.36 -40.88 64.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.707 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.533 ' O ' HD12 ' C' ' 350' ' ' LEU . 15.7 tt0 -72.08 -35.32 69.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.708 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.613 ' HB2' ' HD2' ' B' ' 351' ' ' LYS . . . -74.61 -33.36 62.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.746 HD13 ' CG ' ' D' ' 337' ' ' ARG . 1.7 mt -72.94 -30.18 63.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.71 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -69.12 -29.82 67.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.533 HD12 ' O ' ' C' ' 346' ' ' GLU . 1.2 mp -64.82 -41.88 95.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.594 ' HE2' ' HB2' ' B' ' 347' ' ' ALA . 1.2 mptp? -61.49 -30.92 70.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.85 -32.5 69.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.37 -33.51 65.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.782 0.325 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.403 ' CD2' ' N ' ' D' ' 328' ' ' PHE . 6.9 m-85 -107.24 124.65 50.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.726 HG23 ' HG2' ' C' ' 331' ' ' GLN . 1.3 m -92.8 137.0 32.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.442 HD21 ' HA ' ' C' ' 342' ' ' ARG . 15.9 tp -130.6 97.12 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -67.86 117.86 10.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.515 HG23 ' OD1' ' C' ' 345' ' ' ASN . 30.6 mt -136.86 132.49 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -95.55 42.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -126.77 109.77 1.15 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -60.9 -48.87 79.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.852 0.358 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -68.33 -41.36 80.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.746 ' CG ' HD13 ' C' ' 348' ' ' LEU . 4.0 mtm180 -58.29 -45.61 87.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.769 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -59.33 -48.16 82.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -54.29 -33.75 59.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.631 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.3 mmm -66.61 -58.88 4.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.317 179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.431 ' CD2' ' CD2' ' C' ' 341' ' ' PHE . 3.3 m-85 -61.54 -29.75 70.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.777 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -70.17 -37.85 75.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.981 0.42 . . . . 0.0 110.17 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -78.81 -32.11 46.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.205 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.525 HD11 HD22 ' A' ' 344' ' ' LEU . 0.4 OUTLIER -75.06 -28.7 60.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.504 179.511 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.43 ' OD1' HG23 ' C' ' 332' ' ' ILE . 38.3 t30 -75.25 -43.96 48.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.665 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -72.71 -32.08 65.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.709 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.94 -30.07 50.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.988 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.646 HD13 ' CG ' ' C' ' 337' ' ' ARG . 7.9 mt -76.99 -29.18 55.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -74.4 -31.32 62.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 11.6 mt -74.49 -43.75 54.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.802 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -28.62 64.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.811 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -75.32 -31.04 60.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.845 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.32 -30.95 68.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.417 ' CE2' ' HB2' ' B' ' 333' ' ' ARG . 23.3 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.834 0.35 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -129.57 122.55 29.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.917 HG23 ' HG2' ' B' ' 331' ' ' GLN . 0.2 OUTLIER -100.24 140.69 34.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 330' ' ' LEU . 13.1 tp -137.39 114.19 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -86.54 89.03 7.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.628 HG23 ' OD1' ' B' ' 345' ' ' ASN . 5.0 mt -94.77 130.17 43.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.013 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -95.07 43.97 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -129.4 120.67 3.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -70.0 -48.62 57.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.83 0.348 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -71.6 -48.77 45.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -56.65 -40.72 75.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.752 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -61.45 -49.07 78.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.449 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.02 -33.65 57.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.71 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.4 ttp -66.73 -57.95 6.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.388 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.69 -30.41 69.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.758 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -69.19 -42.16 76.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.083 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -73.98 -31.07 62.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.027 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 1.005 HD11 HD11 ' D' ' 344' ' ' LEU . 0.1 OUTLIER -71.78 -40.42 69.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.38 179.421 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.573 ' OD1' HG23 ' B' ' 332' ' ' ILE . 8.9 t30 -64.07 -41.03 97.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.641 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.718 ' O ' HD23 ' A' ' 350' ' ' LEU . 5.9 tt0 -67.99 -32.5 72.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.764 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.22 -39.06 78.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.985 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.583 HD13 ' HD2' ' A' ' 351' ' ' LYS . 3.6 mm? -65.66 -40.14 92.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.738 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -62.29 -30.55 71.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.7 mm? -67.87 -49.47 61.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.583 ' HD2' HD13 ' A' ' 348' ' ' LEU . 0.3 OUTLIER -63.81 -31.12 72.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.71 -33.39 62.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.86 -32.02 51.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.822 0.344 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.427 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 5.8 m-85 -116.24 100.22 7.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.4 m -70.56 151.24 45.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.595 ' CD2' HD11 ' B' ' 332' ' ' ILE . 26.0 tp -147.53 108.51 4.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.917 ' HG2' HG23 ' A' ' 329' ' ' THR . 0.2 OUTLIER -96.41 102.71 14.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.595 HD11 ' CD2' ' B' ' 330' ' ' LEU . 5.1 mt -110.73 141.61 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.057 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.417 ' HB2' ' CE2' ' A' ' 327' ' ' TYR . 10.0 ttt-85 -97.77 37.89 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.09 119.92 2.63 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -69.17 -36.29 77.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.32 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -75.59 -50.88 14.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -56.38 -43.85 79.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.669 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -61.5 -46.66 89.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.385 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -55.35 -33.96 63.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.64 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 22.9 ttm -66.51 -58.02 6.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.348 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -61.6 -30.34 70.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.685 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.42 -35.2 77.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.985 0.422 . . . . 0.0 110.243 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -80.14 -31.48 39.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.313 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.79 ' O ' HD23 ' B' ' 348' ' ' LEU . 1.9 mt -76.1 -29.92 58.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.571 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.628 ' OD1' HG23 ' A' ' 332' ' ' ILE . 43.4 t30 -75.94 -41.96 50.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.608 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.476 ' O ' HD23 ' B' ' 350' ' ' LEU . 3.6 mm-40 -73.11 -31.96 64.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.734 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.23 -31.07 58.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.974 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.812 HD13 ' HD3' ' B' ' 351' ' ' LYS . 3.1 mm? -74.26 -34.23 63.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.747 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -69.29 -33.43 73.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.476 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.6 mm? -72.66 -45.68 57.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.772 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.812 ' HD3' HD13 ' B' ' 348' ' ' LEU . 6.1 ptmt -72.5 -29.15 63.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.788 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -79.26 -29.69 42.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.33 -30.82 54.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.77 0.319 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -127.21 97.12 4.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.39 95.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.749 HD12 ' CD1' ' D' ' 338' ' ' PHE . 6.7 tt -89.68 115.21 26.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.586 ' HG2' HG23 ' D' ' 329' ' ' THR . 42.2 mt-30 -91.94 133.24 35.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.446 HG22 ' H ' ' C' ' 334' ' ' GLY . 3.7 mp -125.93 133.17 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 48.2 ttp85 -98.31 33.79 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.446 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -141.24 129.59 4.11 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -68.6 -39.69 80.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.788 0.328 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -74.02 -49.71 23.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.3 mtm105 -56.64 -42.6 79.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.765 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -61.37 -47.66 84.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.451 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -54.87 -33.38 61.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.547 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.6 ttm -66.51 -59.1 3.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.278 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -60.92 -30.48 70.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.724 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.9 ttt-85 -67.74 -33.91 75.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.996 0.427 . . . . 0.0 110.116 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.49 -31.7 42.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.233 179.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.736 HD21 ' CG ' ' B' ' 344' ' ' LEU . 1.2 mt -74.96 -33.18 61.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.495 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.3 -41.19 63.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.59 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.2 -36.28 71.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.693 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.81 -32.08 69.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.567 HD11 ' HD2' ' D' ' 337' ' ' ARG . 13.4 mt -69.19 -41.08 77.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.597 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -74.4 -25.22 59.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.571 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' C' ' 350' ' ' LEU . 8.8 tp -78.51 -37.69 42.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -73.56 -30.54 63.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.71 -30.99 61.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.92 -30.73 50.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.811 0.339 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -152.05 127.3 9.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.586 HG23 ' HG2' ' C' ' 331' ' ' GLN . 0.6 OUTLIER -99.04 125.58 44.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 6.4 tp -130.96 99.26 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -61.2 124.98 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.458 HD13 ' HD1' ' D' ' 341' ' ' PHE . 4.8 mt -127.25 116.4 43.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.092 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -83.46 78.82 9.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.97 136.63 3.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.58 -64.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -60.59 -38.71 85.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.567 ' HD2' HD11 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -59.85 -52.16 66.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.691 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.749 ' CD1' HD12 ' C' ' 330' ' ' LEU . 8.0 t80 -61.37 -44.53 97.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.134 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -57.16 -32.42 66.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.382 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.6 mtp -67.08 -61.09 2.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.115 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.458 ' HD1' HD13 ' D' ' 332' ' ' ILE . 3.0 m-85 -61.93 -28.08 69.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.796 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -73.97 -40.08 63.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.969 0.414 . . . . 0.0 110.065 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -75.88 -30.87 58.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.225 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 1.005 HD11 HD11 ' A' ' 344' ' ' LEU . 1.1 tp -72.59 -31.19 65.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.58 179.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -73.04 -45.96 54.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.718 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.76 -30.72 67.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.734 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.64 -33.19 58.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.726 HD23 ' O ' ' D' ' 344' ' ' LEU . 2.4 mm? -73.14 -31.11 64.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.737 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -69.86 -29.87 67.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 11.4 mt -69.33 -43.91 72.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -61.63 -35.14 77.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.94 -33.9 70.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.45 -31.53 69.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.826 0.345 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -137.57 101.8 4.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.08 152.33 39.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.453 HD13 ' CE1' ' B' ' 338' ' ' PHE . 12.9 tp -156.92 116.95 3.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -92.77 83.25 4.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.494 ' H ' HD12 ' A' ' 332' ' ' ILE . 3.6 mp -74.76 128.69 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.65 34.06 2.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.494 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -133.93 107.02 0.64 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.9 ttm-85 -59.27 -31.66 69.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 111.033 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.67 -60.81 2.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.668 ' HB3' HD13 ' B' ' 348' ' ' LEU . 5.5 ptp85 -55.82 -40.82 73.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.41 ' CZ ' ' HD2' ' A' ' 342' ' ' ARG . 3.7 t80 -63.64 -39.25 93.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.304 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -57.4 -41.26 79.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.577 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.564 ' O ' HD12 ' A' ' 344' ' ' LEU . 12.5 ttm -62.37 -55.76 24.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.418 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.423 ' CE1' ' HA ' ' B' ' 341' ' ' PHE . 3.9 m-85 -58.98 -31.34 68.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.697 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.41 ' HD2' ' CZ ' ' A' ' 338' ' ' PHE . 5.5 tpm_? -63.4 -37.3 86.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.261 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -78.35 -32.13 48.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.363 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.701 HD21 HD21 ' D' ' 344' ' ' LEU . 2.7 mp -76.65 -29.54 56.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.639 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.545 ' ND2' HD21 ' B' ' 330' ' ' LEU . 15.9 m-20 -75.4 -39.6 58.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.745 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -75.09 -31.35 61.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.772 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.33 -30.76 48.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.026 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.864 HD13 ' HD3' ' B' ' 337' ' ' ARG . 4.7 mt -77.39 -30.78 53.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.766 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -74.14 -30.48 62.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.807 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.8 mt -69.96 -34.89 73.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -63.83 -31.45 72.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -72.06 -33.69 68.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.65 -32.35 72.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.806 0.336 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -153.09 124.47 7.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.5 m -94.56 147.63 23.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.993 HD23 HD11 ' B' ' 332' ' ' ILE . 15.5 tp -148.29 151.69 35.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -139.06 109.07 6.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.993 HD11 HD23 ' B' ' 330' ' ' LEU . 3.5 mp -110.33 151.38 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -106.16 34.57 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.13 131.92 6.61 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 -71.93 -52.31 17.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -64.97 -38.79 92.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.864 ' HD3' HD13 ' A' ' 348' ' ' LEU . 13.3 ttp180 -59.56 -52.39 65.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.453 ' CE1' HD13 ' A' ' 330' ' ' LEU . 8.9 t80 -61.11 -45.28 95.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.089 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -56.79 -31.91 65.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.409 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.4 ttm -67.24 -60.3 2.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.22 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.46 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 2.2 m-85 -61.42 -28.29 69.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.797 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -72.03 -37.29 69.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.949 0.404 . . . . 0.0 110.408 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.87 -32.12 51.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.32 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.746 HD11 HD21 ' C' ' 344' ' ' LEU . 0.4 OUTLIER -75.06 -31.36 61.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.584 179.599 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -73.53 -41.62 62.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.61 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.477 ' O ' HD12 ' B' ' 350' ' ' LEU . 1.5 tp10 -70.42 -36.58 74.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.709 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.597 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -70.93 -31.34 67.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.668 HD13 ' HB3' ' A' ' 337' ' ' ARG . 3.5 mt -70.76 -38.94 73.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.703 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -65.15 -31.32 72.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.79 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.477 HD12 ' O ' ' B' ' 346' ' ' GLU . 0.9 OUTLIER -66.04 -38.03 87.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.75 -34.45 72.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.65 -32.68 71.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.75 -30.88 45.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.865 0.364 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -139.31 98.85 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.3 m -63.53 139.82 58.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' C' ' 330' ' ' LEU . 16.5 tp -151.67 117.99 5.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.72 100.23 9.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.523 HG22 ' H ' ' C' ' 334' ' ' GLY . 3.3 mt -98.36 137.37 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -79.67 -29.56 40.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.969 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.523 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -61.77 118.31 14.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.526 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -76.19 -39.5 54.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -68.0 -53.36 26.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.512 ' HB3' HD13 ' D' ' 348' ' ' LEU . 18.1 ptp180 -56.65 -46.92 80.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.751 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 4.1 t80 -59.24 -39.84 84.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.426 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -56.96 -41.12 77.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.642 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.611 ' O ' HD12 ' C' ' 344' ' ' LEU . 10.2 mtm -62.94 -55.97 21.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.371 179.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -58.83 -30.13 67.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.735 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -63.99 -38.93 92.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.242 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -76.06 -33.69 59.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.346 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.746 HD21 HD11 ' B' ' 344' ' ' LEU . 2.5 mp -73.63 -28.75 61.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.529 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.5 ' ND2' HD21 ' D' ' 330' ' ' LEU . 1.2 m-80 -73.52 -43.65 59.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.72 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -72.68 -32.18 65.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.749 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.84 -30.61 51.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.975 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.509 HD13 ' CD ' ' D' ' 337' ' ' ARG . 8.9 mt -76.66 -29.67 56.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.827 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -73.77 -31.63 63.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 9.1 mt -69.93 -38.32 76.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.597 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 4.1 mtmp? -67.24 -41.9 84.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.838 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.21 -31.59 72.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.92 -31.39 61.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.82 0.343 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.426 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 23.8 m-85 -153.66 104.51 2.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.75 117.96 10.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.757 HD23 HD11 ' D' ' 332' ' ' ILE . 6.6 tp -126.57 119.9 28.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -100.94 106.19 17.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.757 HD11 HD23 ' D' ' 330' ' ' LEU . 4.0 mp -97.67 132.31 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -98.39 33.49 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.491 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -137.91 140.99 11.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 48.4 ttt-85 -74.62 -63.0 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.953 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.11 -35.39 73.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.633 ' HG2' HG21 ' D' ' 332' ' ' ILE . 0.1 OUTLIER -61.2 -53.95 50.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.658 179.833 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -61.97 -43.72 98.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.009 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -32.05 66.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.381 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.3 mtp -67.08 -60.19 2.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.218 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.472 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 4.0 m-85 -60.62 -28.47 68.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.734 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -68.2 -38.02 81.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.195 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -77.06 -32.4 56.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.277 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.701 HD21 HD21 ' A' ' 344' ' ' LEU . 0.6 OUTLIER -73.15 -30.32 63.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.49 179.578 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.82 -45.66 57.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.624 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.486 ' O ' HD23 ' D' ' 350' ' ' LEU . 13.5 tp10 -68.98 -32.74 72.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.769 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.46 -31.08 65.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.961 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.512 HD13 ' HB3' ' C' ' 337' ' ' ARG . 17.0 mt -71.46 -40.02 70.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.74 -31.98 73.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.486 HD23 ' O ' ' D' ' 346' ' ' GLU . 2.9 mm? -67.29 -42.3 83.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -60.38 -35.93 76.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -66.57 -34.6 78.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.28 -30.95 54.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.43 ' CE1' ' HG3' ' B' ' 333' ' ' ARG . 12.8 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.86 0.362 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -135.75 117.28 14.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 2.0 m -81.78 135.97 35.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.742 HD23 HD11 ' A' ' 332' ' ' ILE . 20.3 tp -137.53 107.56 6.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -73.12 93.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.742 HD11 HD23 ' A' ' 330' ' ' LEU . 27.1 mm -75.03 111.17 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.407 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 2.0 ttt180 -91.74 76.54 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.62 124.79 0.75 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 3.0 ptt-85 -60.19 -45.18 94.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -74.39 -44.65 51.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.815 ' HG3' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -57.48 -47.86 80.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.767 179.852 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.773 ' CE1' HD12 ' B' ' 330' ' ' LEU . 10.2 t80 -60.15 -46.36 89.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.355 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -55.33 -33.79 63.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.595 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.531 ' CE ' HD22 ' B' ' 344' ' ' LEU . 2.1 ttp -66.36 -59.04 4.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.285 179.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.453 ' CD1' HD12 ' A' ' 332' ' ' ILE . 3.1 m-85 -63.14 -29.97 71.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.781 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -72.51 -33.66 67.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 0.0 110.202 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -81.25 -31.34 33.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.293 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.825 HD22 HD22 ' D' ' 344' ' ' LEU . 37.2 mt -77.34 -30.52 53.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.537 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -76.74 -39.67 51.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.533 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.617 ' O ' HD12 ' A' ' 350' ' ' LEU . 16.5 tt0 -70.59 -31.73 68.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.683 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.54 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . . . -72.61 -39.49 67.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 344' ' ' LEU . 3.5 mt -67.73 -33.38 74.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.674 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -65.47 -29.98 70.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.799 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.617 HD12 ' O ' ' A' ' 346' ' ' GLU . 0.7 OUTLIER -67.29 -50.52 59.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.66 -30.24 68.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -75.97 -31.11 58.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.17 -37.22 54.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.407 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 54.3 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.797 0.332 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.401 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 42.4 m-85 -144.71 102.35 3.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.89 125.79 28.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.773 HD12 ' CE1' ' A' ' 338' ' ' PHE . 2.2 tt -128.29 106.38 8.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -83.22 115.1 21.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -108.49 145.78 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.43 ' HG3' ' CE1' ' A' ' 327' ' ' TYR . 0.2 OUTLIER -99.17 36.11 1.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -144.3 127.12 2.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -31.4 66.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -74.15 -47.72 34.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.45 ' CG ' HD13 ' A' ' 348' ' ' LEU . 0.1 OUTLIER -56.67 -47.93 78.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.771 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.668 ' CE1' HD13 ' A' ' 330' ' ' LEU . 8.9 t80 -59.42 -44.91 92.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.464 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -55.56 -36.45 66.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.61 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -66.65 -58.79 4.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.19 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.415 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 3.9 m-85 -61.5 -27.92 68.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.749 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 6.8 ttt85 -69.25 -35.85 76.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.934 0.397 . . . . 0.0 110.117 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -79.13 -31.44 44.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.196 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.762 ' O ' HD12 ' B' ' 348' ' ' LEU . 0.2 OUTLIER -73.02 -31.93 64.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.439 179.427 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.87 -46.81 50.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.646 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -71.75 -30.89 66.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.732 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.26 -30.2 54.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.992 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.815 HD13 ' HG3' ' A' ' 337' ' ' ARG . 0.6 OUTLIER -74.99 -32.74 61.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.793 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -70.06 -31.26 68.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.2 mt -67.97 -37.88 82.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.802 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -31.57 70.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.791 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.29 -34.89 74.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.64 -30.89 57.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.42 ' CZ ' ' HD2' ' D' ' 333' ' ' ARG . 11.7 m-85 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.872 0.368 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.439 ' HB3' ' CD1' ' D' ' 338' ' ' PHE . 66.6 m-85 -150.03 91.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.56 152.83 44.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.688 HD23 HD11 ' C' ' 332' ' ' ILE . 5.4 tp -156.36 104.82 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.779 ' HG3' HG23 ' D' ' 329' ' ' THR . 5.5 mt-30 -96.81 125.3 41.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.688 HD11 HD23 ' C' ' 330' ' ' LEU . 4.6 mt -127.5 149.41 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.64 33.21 2.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -126.11 138.38 10.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -76.09 -66.14 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.33 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -59.74 -38.37 81.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.657 ' HD2' HD22 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -60.11 -53.15 61.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.558 179.761 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.45 ' CD2' ' CB ' ' D' ' 328' ' ' PHE . 8.3 t80 -62.11 -45.3 94.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.897 179.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -56.64 -31.38 64.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.272 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.403 ' O ' HD12 ' C' ' 344' ' ' LEU . 3.7 ttm -67.32 -61.78 1.75 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.099 179.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.471 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 2.1 m-85 -61.05 -28.06 68.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.804 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -76.41 -41.96 45.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.225 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -75.74 -29.98 59.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.189 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.753 HD21 HD11 ' B' ' 344' ' ' LEU . 0.4 OUTLIER -74.0 -33.93 63.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.562 179.629 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.515 ' OD1' HG23 ' D' ' 332' ' ' ILE . 61.1 t30 -73.23 -43.43 61.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.757 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -74.65 -31.07 61.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.68 -30.71 41.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.615 HD13 ' HD2' ' D' ' 337' ' ' ARG . 15.8 mt -78.13 -28.97 48.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.799 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.7 -30.53 61.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.739 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.5 mt -68.89 -33.83 74.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.786 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -62.91 -33.84 76.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.54 -33.19 74.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.86 -31.07 51.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.943 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.765 0.317 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.45 ' CB ' ' CD2' ' C' ' 338' ' ' PHE . 7.2 m-85 -137.99 123.0 19.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.779 HG23 ' HG3' ' C' ' 331' ' ' GLN . 0.8 OUTLIER -99.15 142.17 30.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.891 HD23 HD11 ' D' ' 332' ' ' ILE . 17.6 tp -139.72 119.75 13.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.64 93.7 5.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.891 HD11 HD23 ' D' ' 330' ' ' LEU . 4.8 mt -98.51 136.53 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.42 ' HD2' ' CZ ' ' C' ' 327' ' ' TYR . 23.2 mtp180 -95.92 69.92 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -165.36 133.26 2.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.485 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 12.4 ptt-85 -76.46 -38.25 55.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.772 0.32 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -76.86 -43.26 36.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.615 ' HD2' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -59.02 -51.4 70.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.678 179.826 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.493 ' CE1' HD13 ' C' ' 330' ' ' LEU . 7.1 t80 -60.62 -43.17 97.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.224 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -56.62 -34.15 66.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.465 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.5 ttp -66.95 -60.74 2.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.163 179.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.447 ' CE2' ' HG3' ' D' ' 337' ' ' ARG . 3.4 m-85 -61.48 -27.41 68.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.703 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -33.01 72.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.107 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -77.11 -33.6 56.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.359 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.825 HD22 HD22 ' A' ' 344' ' ' LEU . 73.9 mt -72.3 -36.01 68.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.544 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -68.91 -41.56 78.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.536 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -66.4 -41.03 89.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.685 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.484 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -74.85 -17.27 60.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.143 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.657 HD22 ' HD2' ' C' ' 337' ' ' ARG . 4.3 tp -84.88 -27.38 26.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.836 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -77.66 -29.04 51.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.268 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.544 ' C ' HD12 ' D' ' 350' ' ' LEU . 2.9 pp -77.35 -34.35 55.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.741 0.305 . . . . 0.0 111.072 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.54 ' HE3' ' HB2' ' A' ' 347' ' ' ALA . 0.8 OUTLIER -74.44 -29.73 61.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.781 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -71.56 -31.14 66.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.58 -31.37 70.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.756 0.312 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.434 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 31.7 m-85 -132.7 94.55 3.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 18.3 m -79.6 105.33 10.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.631 HD23 HD11 ' A' ' 332' ' ' ILE . 21.8 tp -99.67 111.1 23.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.692 ' HG3' HG23 ' B' ' 329' ' ' THR . 16.0 tt0 -90.31 83.78 5.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.684 HG23 ' OD1' ' B' ' 345' ' ' ASN . 3.7 mp -78.42 144.72 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.404 ' HB3' ' CZ ' ' B' ' 327' ' ' TYR . 0.7 OUTLIER -98.68 32.36 2.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.33 114.2 1.5 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -59.73 -46.72 88.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -70.38 -41.82 72.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.522 ' HD3' HD12 ' B' ' 348' ' ' LEU . 1.4 ttm180 -58.18 -45.32 87.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.75 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.479 ' CE1' HD13 ' B' ' 330' ' ' LEU . 13.3 t80 -59.97 -48.89 79.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.468 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -54.28 -32.92 57.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.55 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.506 ' O ' HD12 ' A' ' 344' ' ' LEU . 6.5 ttm -66.87 -59.14 3.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.273 179.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.418 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 3.8 m-85 -59.62 -28.71 67.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.814 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -37.41 83.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.191 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -77.93 -31.93 51.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.311 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.845 HD23 HD21 ' D' ' 344' ' ' LEU . 2.6 mp -75.44 -30.76 60.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.61 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -74.34 -40.61 62.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.766 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.681 ' O ' HD23 ' A' ' 350' ' ' LEU . 4.3 tt0 -73.01 -34.12 66.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.773 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.64 -32.78 58.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.737 HD13 ' HG2' ' B' ' 337' ' ' ARG . 3.4 mt -74.78 -28.23 60.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.704 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -71.46 -29.47 64.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.767 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.681 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.8 mm? -71.56 -48.18 50.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.552 ' HD2' HD23 ' A' ' 348' ' ' LEU . 2.5 ptpt -67.58 -30.29 69.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -73.06 -31.23 64.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.67 -31.1 69.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.404 ' CZ ' ' HB3' ' A' ' 333' ' ' ARG . 17.1 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.791 0.329 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -145.54 135.22 23.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.692 HG23 ' HG3' ' A' ' 331' ' ' GLN . 0.8 OUTLIER -103.45 114.05 28.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.98 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 1.045 HD23 HD11 ' B' ' 332' ' ' ILE . 15.7 tp -107.07 97.29 7.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -77.7 102.2 6.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 1.045 HD11 HD23 ' B' ' 330' ' ' LEU . 4.8 mt -113.32 141.5 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.065 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -99.63 36.74 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -127.4 120.98 3.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -71.44 -36.19 71.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -76.35 -51.25 12.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.737 ' HG2' HD13 ' A' ' 348' ' ' LEU . 2.1 mtm105 -56.34 -43.3 78.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.693 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 11.8 t80 -62.04 -47.47 84.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.374 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -55.27 -32.61 62.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.561 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.545 ' O ' HD12 ' B' ' 344' ' ' LEU . 9.4 ttm -66.88 -59.09 3.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.254 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.418 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 4.3 m-85 -60.59 -30.53 69.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.775 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -68.01 -34.14 75.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.974 0.416 . . . . 0.0 110.105 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -81.3 -31.49 33.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.201 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.681 ' CG ' HD21 ' C' ' 344' ' ' LEU . 1.8 mp -77.14 -32.3 56.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.444 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.684 ' OD1' HG23 ' A' ' 332' ' ' ILE . 51.6 t30 -77.27 -40.31 45.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.523 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.78 -29.76 61.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.583 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.96 -31.94 59.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.939 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.522 HD12 ' HD3' ' A' ' 337' ' ' ARG . 13.3 mt -74.3 -37.95 63.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.736 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -72.38 -30.23 64.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.754 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.448 ' HA ' HD22 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -71.27 -32.34 68.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -66.22 -31.61 72.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -68.06 -32.99 73.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.72 -31.25 72.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.927 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.851 0.357 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.428 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 21.1 m-85 -121.94 125.78 47.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 8.0 m -82.15 105.23 13.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.987 HD23 HD11 ' C' ' 332' ' ' ILE . 14.3 tp -106.59 116.09 31.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.412 HE21 HG23 ' D' ' 329' ' ' THR . 0.9 OUTLIER -83.33 92.94 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.987 HD11 HD23 ' C' ' 330' ' ' LEU . 24.0 mm -81.88 119.44 31.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -98.42 30.61 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.544 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -137.0 119.96 2.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.435 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -59.89 -44.75 94.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.768 0.318 . . . . 0.0 110.935 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.88 -43.26 62.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.621 ' HG3' HD13 ' D' ' 348' ' ' LEU . 4.4 ttm180 -57.25 -47.64 80.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.743 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.734 ' CE2' HD13 ' D' ' 330' ' ' LEU . 12.3 t80 -59.63 -48.05 83.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.337 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -32.99 59.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.649 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.7 ttm -66.75 -58.71 4.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.354 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.423 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.6 m-85 -61.27 -29.8 70.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.859 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -36.48 75.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.968 0.413 . . . . 0.0 110.154 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -79.89 -30.91 40.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.248 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.681 HD21 ' CG ' ' B' ' 344' ' ' LEU . 0.9 OUTLIER -76.55 -29.86 56.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.515 179.604 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -76.17 -41.47 49.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.723 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.689 ' O ' HD23 ' C' ' 350' ' ' LEU . 3.7 mt-10 -74.27 -32.03 62.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.704 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.82 -31.03 51.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.706 HD13 ' HG3' ' D' ' 337' ' ' ARG . 14.8 mt -75.76 -30.96 59.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.745 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -71.24 -30.53 66.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.689 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.7 mm? -69.22 -43.21 74.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -62.27 -31.01 71.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.98 -31.51 68.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.5 -41.7 62.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.802 0.334 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -134.32 95.27 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.412 HG23 HE21 ' C' ' 331' ' ' GLN . 0.2 OUTLIER -60.4 104.54 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.734 HD13 ' CE2' ' C' ' 338' ' ' PHE . 32.3 tp -108.26 122.63 47.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.12 83.12 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.801 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.543 HD11 HD23 ' D' ' 330' ' ' LEU . 4.6 mt -81.8 142.75 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -104.99 -174.42 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 63.48 122.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 7.5 tpt85 -64.16 -30.12 71.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.73 0.3 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -74.19 -56.21 5.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.706 ' HG3' HD13 ' C' ' 348' ' ' LEU . 1.2 ttm180 -55.5 -42.01 73.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.717 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.428 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 9.1 t80 -63.06 -45.34 92.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.323 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.65 -34.25 64.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.597 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttm -66.67 -58.73 4.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.265 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.501 ' CE1' HG21 ' D' ' 332' ' ' ILE . 2.9 m-85 -63.42 -29.61 70.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.681 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.404 ' HG3' ' CE1' ' D' ' 338' ' ' PHE . 2.3 tmt_? -71.29 -33.98 70.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.97 0.414 . . . . 0.0 110.168 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -81.95 -31.2 31.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.235 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.845 HD21 HD23 ' A' ' 344' ' ' LEU . 12.0 mt -78.35 -29.32 47.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.569 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -78.58 -38.75 39.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.682 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -76.1 -30.25 58.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.638 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.48 ' HB2' ' CE ' ' A' ' 351' ' ' LYS . . . -78.11 -31.53 50.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.714 HD12 ' O ' ' D' ' 344' ' ' LEU . 0.7 OUTLIER -76.27 -33.4 59.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.701 179.845 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -75.91 -26.48 57.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.715 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.18 -37.68 61.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.526 ' HD3' HD23 ' D' ' 348' ' ' LEU . 12.6 ptmm? -68.76 -31.49 70.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.4 -31.17 68.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.06 -31.26 69.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.405 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 14.3 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.838 0.351 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.429 ' N ' ' CD1' ' A' ' 328' ' ' PHE . 4.2 m-85 -110.92 127.59 55.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 3.8 m -82.23 144.67 30.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.74 HD23 HD11 ' A' ' 332' ' ' ILE . 18.2 tp -147.84 103.47 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -83.91 87.28 7.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.74 HD11 HD23 ' A' ' 330' ' ' LEU . 3.6 mp -89.21 142.87 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -106.11 77.55 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.33 125.77 1.07 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -74.17 -34.78 63.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.763 0.316 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -75.25 -52.63 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.4 ttm105 -56.45 -39.33 72.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.732 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.416 ' CE1' ' HG3' ' A' ' 342' ' ' ARG . 12.1 t80 -63.31 -48.49 77.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.319 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -53.98 -34.49 59.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.638 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.469 ' O ' HD12 ' A' ' 344' ' ' LEU . 8.3 ttm -65.49 -58.38 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.251 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.501 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 3.6 m-85 -60.44 -31.93 70.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.416 ' HG3' ' CE1' ' A' ' 338' ' ' PHE . 0.2 OUTLIER -68.81 -36.22 77.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.963 0.411 . . . . 0.0 110.233 179.491 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -80.27 -29.93 38.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.32 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.714 ' CG ' HD21 ' D' ' 344' ' ' LEU . 1.3 mp -78.47 -32.59 48.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.566 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -78.55 -37.87 41.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.601 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -77.57 -28.77 51.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.605 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.86 -32.28 40.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.583 HD13 ' CD ' ' B' ' 337' ' ' ARG . 3.9 mt -77.78 -31.28 51.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.632 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -75.4 -26.16 58.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.664 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -72.25 -39.61 68.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -66.59 -29.29 69.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -69.94 -31.83 69.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.48 -31.3 60.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.812 0.339 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 6.3 m-85 -124.95 128.68 48.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.81 132.08 41.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 23.3 tp -141.01 113.45 8.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -92.68 87.69 5.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.55 ' H ' HD12 ' B' ' 332' ' ' ILE . 3.6 mp -72.42 137.14 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.405 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -97.27 79.0 2.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.87 127.78 1.0 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.537 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -61.62 -58.09 9.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -61.93 -35.89 79.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.583 ' CD ' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -61.23 -54.56 42.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.558 179.874 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.564 ' CE2' HD13 ' A' ' 330' ' ' LEU . 6.9 t80 -60.95 -43.39 98.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.135 179.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -32.11 67.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.414 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.4 ttm -67.63 -60.35 2.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.235 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.501 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 3.5 m-85 -61.13 -26.84 67.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.736 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -69.97 -35.82 74.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.271 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.0 -31.92 39.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.273 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.794 ' O ' HD23 ' B' ' 348' ' ' LEU . 0.4 OUTLIER -76.43 -30.57 57.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.5 179.527 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -75.15 -40.67 59.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.667 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.652 ' O ' HD23 ' B' ' 350' ' ' LEU . 3.7 tt0 -71.21 -33.73 70.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.707 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.0 -34.25 68.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.794 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.5 mm? -69.58 -38.38 77.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.649 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -63.55 -29.99 71.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.782 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.652 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.8 mm? -68.44 -50.12 54.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.52 ' HD2' HD13 ' B' ' 348' ' ' LEU . 17.8 ptpt -61.54 -30.91 70.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -67.09 -31.95 72.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.69 -31.52 46.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.075 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.826 0.346 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.444 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 17.1 m-85 -153.31 103.82 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.9 m -61.28 142.85 56.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.437 HD13 ' HD2' ' D' ' 342' ' ' ARG . 17.5 tp -147.79 105.66 3.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -85.48 83.68 7.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.554 ' H ' HD12 ' C' ' 332' ' ' ILE . 3.6 mp -69.16 128.33 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.444 ' CG ' ' CE1' ' D' ' 327' ' ' TYR . 0.0 OUTLIER -99.98 74.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 169.09 119.77 0.5 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.444 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.0 ptm85 -60.25 -35.19 74.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -74.3 -48.93 25.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -57.06 -42.33 80.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.722 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -61.56 -48.17 82.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.444 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -54.75 -33.22 60.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.591 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.9 ttm -66.71 -58.5 4.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.339 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.63 -30.0 69.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.737 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -35.63 79.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.177 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -79.57 -31.49 41.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.289 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.796 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.9 OUTLIER -75.21 -30.0 60.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.588 179.537 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -75.68 -42.91 49.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.71 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.57 -30.17 62.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.72 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.06 -30.79 49.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.03 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.796 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.5 mm? -76.48 -31.91 58.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.754 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.76 -31.12 64.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.817 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 mt -68.97 -36.53 78.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -62.66 -32.49 73.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.5 -31.49 72.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.12 -31.79 73.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.444 ' CE1' ' CG ' ' C' ' 333' ' ' ARG . 43.7 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.802 0.334 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -121.03 103.05 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.83 134.21 49.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.596 HD23 HD11 ' D' ' 332' ' ' ILE . 10.3 tp -141.82 115.41 9.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -90.1 132.18 35.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.596 HD11 HD23 ' D' ' 330' ' ' LEU . 3.8 mp -137.26 129.96 43.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 21.0 ttp85 -72.68 -31.13 64.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.442 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -61.9 116.74 9.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.514 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 37.8 ttp85 -74.02 -35.77 64.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.332 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -73.03 -47.59 43.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.7 mtm105 -58.71 -41.25 85.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.689 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.444 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 11.6 t80 -61.45 -47.12 87.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.482 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -54.33 -36.48 63.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.68 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.5 ttm -65.99 -57.85 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.277 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.38 -29.88 70.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.684 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.437 ' HD2' HD13 ' C' ' 330' ' ' LEU . 1.7 tpm_? -69.06 -34.81 75.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.204 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -79.84 -31.54 40.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.288 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.808 ' O ' HD23 ' D' ' 348' ' ' LEU . 0.5 OUTLIER -75.38 -30.72 60.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.562 179.586 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.417 ' OD1' HG23 ' C' ' 332' ' ' ILE . 42.0 t30 -75.45 -42.04 54.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.691 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -71.82 -30.33 65.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.642 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.79 -34.58 64.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.03 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.808 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.6 mm? -71.27 -37.84 71.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.774 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -70.67 -30.44 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -38.77 69.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -66.19 -31.46 72.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.98 -36.17 79.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.21 -31.53 72.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.064 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.859 0.361 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.428 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 15.6 m-85 -153.17 98.95 2.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.414 HG23 ' HG3' ' B' ' 331' ' ' GLN . 0.2 OUTLIER -65.6 134.66 53.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.809 HD13 ' CE2' ' B' ' 338' ' ' PHE . 6.9 tp -141.48 124.09 15.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -104.5 140.9 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.592 HG23 ' CZ ' ' A' ' 337' ' ' ARG . 3.9 mp -133.5 135.85 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.24 35.17 2.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.408 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -145.32 139.81 8.61 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -33.57 48.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.766 0.317 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.39 -34.91 31.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.722 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.635 ' CD ' HD13 ' B' ' 348' ' ' LEU . 0.1 OUTLIER -65.87 -50.63 63.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.471 179.671 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.419 ' CE2' HD22 ' B' ' 330' ' ' LEU . 5.9 t80 -64.33 -42.54 96.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.927 179.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -58.42 -32.34 68.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.333 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 3.8 ttp -66.98 -60.03 2.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.248 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.465 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 3.4 m-85 -62.13 -28.88 69.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.757 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -71.37 -37.57 71.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.922 0.392 . . . . 0.0 110.121 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -78.11 -31.23 49.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.235 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.816 ' O ' HD23 ' A' ' 348' ' ' LEU . 62.1 mt -75.04 -30.45 61.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.587 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.684 ' ND2' HD12 ' B' ' 332' ' ' ILE . 8.2 m-20 -74.53 -42.51 58.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.714 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -71.48 -32.41 68.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.23 -32.0 61.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.047 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.816 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.5 mm? -73.32 -33.68 65.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.804 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -68.49 -31.59 70.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 mt -70.25 -32.32 70.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -65.69 -31.76 72.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.819 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.58 -31.95 72.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.75 -31.24 71.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.811 0.339 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -129.89 106.06 8.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.49 152.75 42.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.479 HD23 HD11 ' B' ' 332' ' ' ILE . 12.1 tp -157.21 121.67 4.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.414 ' HG3' HG23 ' A' ' 329' ' ' THR . 3.1 mt-30 -99.87 91.0 4.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.684 HD12 ' ND2' ' A' ' 345' ' ' ASN . 26.4 mm -78.89 137.71 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.9 30.63 4.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.524 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -123.98 136.66 10.35 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.428 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -75.81 -67.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -61.47 -40.97 96.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.813 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.492 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -59.23 -51.14 71.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.657 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.809 ' CE2' HD13 ' A' ' 330' ' ' LEU . 8.7 t80 -61.6 -45.19 95.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.132 179.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.29 -32.24 64.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.407 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -67.01 -61.13 2.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.164 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.492 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 5.3 m-85 -59.55 -28.42 67.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.602 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.0 ttp85 -65.94 -35.46 80.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.134 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.1 -32.55 56.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.346 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.699 HD21 HD11 ' C' ' 344' ' ' LEU . 2.5 mp -73.15 -33.01 65.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.521 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.458 ' ND2' HD21 ' A' ' 330' ' ' LEU . 36.3 m-80 -71.49 -42.92 67.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.762 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -71.58 -31.15 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.493 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -76.23 -33.6 59.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.039 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.635 HD13 ' CD ' ' A' ' 337' ' ' ARG . 0.9 OUTLIER -73.94 -30.71 62.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -71.36 -30.57 66.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.773 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 mt -66.94 -38.65 86.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.807 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.689 ' CE ' ' HB2' ' C' ' 347' ' ' ALA . 49.6 mttt -59.9 -31.17 69.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -74.09 -34.37 63.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.36 -37.92 63.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.789 0.328 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -150.44 88.6 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 2.4 m -60.9 126.34 27.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 1.007 HD23 HD11 ' C' ' 332' ' ' ILE . 9.7 tp -121.07 110.85 16.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.628 ' HG3' HG22 ' D' ' 329' ' ' THR . 9.7 mt-30 -84.15 115.5 22.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 1.007 HD11 HD23 ' C' ' 330' ' ' LEU . 4.7 mt -124.6 130.07 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.043 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.41 ' HB3' ' CE2' ' D' ' 327' ' ' TYR . 13.0 ptt180 -95.86 78.28 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.93 128.32 1.28 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.04 -33.17 63.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.11 -54.01 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -56.32 -40.92 75.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.684 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.738 ' CE1' HD12 ' D' ' 330' ' ' LEU . 11.3 t80 -63.35 -47.01 83.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.384 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -55.6 -32.81 63.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.7 ttm -67.3 -58.51 4.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.361 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.554 ' CD2' HD13 ' C' ' 332' ' ' ILE . 3.1 m-85 -61.18 -29.15 69.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.741 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -68.28 -34.12 75.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.212 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -80.16 -32.48 38.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.279 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.699 HD11 HD21 ' B' ' 344' ' ' LEU . 0.7 OUTLIER -76.67 -30.74 56.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.551 179.629 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.439 ' OD1' HG23 ' D' ' 332' ' ' ILE . 4.6 t30 -75.78 -38.92 57.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.661 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -71.57 -31.9 67.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.73 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.689 ' HB2' ' CE ' ' B' ' 351' ' ' LYS . . . -72.98 -37.12 67.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.759 HD13 ' HB3' ' D' ' 337' ' ' ARG . 1.9 mt -69.64 -35.02 74.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.814 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -72.87 -30.65 64.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.04 -32.93 69.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -66.34 -31.47 72.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -65.05 -32.31 73.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.09 -38.69 92.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.41 ' CE2' ' HB3' ' C' ' 333' ' ' ARG . 50.5 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.825 0.345 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -137.12 97.84 3.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.628 HG22 ' HG3' ' C' ' 331' ' ' GLN . 0.7 OUTLIER -70.96 109.23 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.738 HD12 ' CE1' ' C' ' 338' ' ' PHE . 6.9 tt -103.05 100.98 10.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -63.65 111.41 2.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.439 HG23 ' OD1' ' C' ' 345' ' ' ASN . 4.5 mt -112.57 127.34 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.3 ptt85 -106.53 83.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.84 135.05 1.82 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -32.98 58.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.754 0.311 . . . . 0.0 110.962 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -74.88 -54.52 7.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.759 ' HB3' HD13 ' C' ' 348' ' ' LEU . 14.0 ptp180 -56.14 -47.35 78.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.744 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -59.87 -40.42 88.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.312 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -57.21 -39.89 76.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.673 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.434 ' O ' HD12 ' D' ' 344' ' ' LEU . 4.2 mtm -63.51 -55.4 24.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.39 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -59.34 -32.58 70.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.765 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -64.34 -39.6 94.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.189 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -77.97 -30.73 50.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.243 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.617 ' CD2' HD21 ' A' ' 344' ' ' LEU . 1.8 mp -76.97 -31.87 56.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.551 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -73.86 -38.36 64.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.697 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.555 ' O ' HD12 ' D' ' 350' ' ' LEU . 1.5 tp10 -75.3 -30.24 60.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.737 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.36 -28.55 56.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.997 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.49 HD23 ' O ' ' D' ' 344' ' ' LEU . 2.3 mm? -76.8 -40.06 49.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -28.7 61.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.816 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.555 HD12 ' O ' ' D' ' 346' ' ' GLU . 2.8 mt -76.08 -30.75 58.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.793 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -71.01 -30.97 67.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.2 -31.56 64.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.1 -41.42 61.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.843 0.354 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -143.82 102.16 3.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 7.4 m -64.09 150.82 44.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.772 ' HG ' HD11 ' A' ' 332' ' ' ILE . 13.6 tp -146.23 106.14 3.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -105.93 118.53 36.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.772 HD11 ' HG ' ' A' ' 330' ' ' LEU . 3.0 mp -125.64 152.97 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -103.56 33.31 3.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -128.52 134.03 7.92 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.484 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.66 -47.96 24.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.347 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -69.2 -39.72 78.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.467 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 0.9 OUTLIER -59.79 -52.95 63.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.642 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.445 ' CD2' ' CB ' ' B' ' 328' ' ' PHE . 7.8 t80 -61.33 -44.27 97.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.016 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -56.65 -32.48 65.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.379 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.6 ttp -66.79 -60.86 2.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.158 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.467 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 6.0 m-85 -59.04 -27.91 65.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -35.98 80.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.91 0.386 . . . . 0.0 110.122 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -76.85 -36.97 56.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.271 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.773 ' O ' HD23 ' A' ' 348' ' ' LEU . 0.5 OUTLIER -70.51 -28.84 65.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.363 179.421 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -72.06 -47.37 52.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.719 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -69.65 -31.32 69.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.805 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.44 -31.05 57.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.773 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.2 mm? -74.88 -31.37 61.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -72.01 -30.97 65.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.75 -40.21 79.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -64.92 -40.93 95.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -63.92 -31.38 72.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.32 87.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.466 ' NE2' HD22 ' D' ' 350' ' ' LEU . 1.3 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.833 0.349 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.445 ' CB ' ' CD2' ' A' ' 338' ' ' PHE . 20.0 m-85 -137.96 99.75 3.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.91 152.94 38.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 21.7 tp -157.98 112.44 2.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.595 ' C ' HD12 ' B' ' 332' ' ' ILE . 9.0 mp0 -96.28 145.83 25.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.595 HD12 ' C ' ' B' ' 331' ' ' GLN . 3.4 mp -144.48 149.62 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -102.24 35.83 2.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -130.41 137.32 9.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -74.41 -60.76 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -59.58 -34.56 72.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.501 ' HG2' HG21 ' B' ' 332' ' ' ILE . 0.0 OUTLIER -61.28 -54.45 43.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.642 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -60.76 -43.23 98.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.089 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.57 -32.33 67.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.324 179.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.428 ' O ' HD12 ' B' ' 344' ' ' LEU . 0.6 OUTLIER -67.84 -61.31 1.93 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.192 179.339 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.47 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 2.0 m-85 -62.92 -24.81 68.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.723 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.13 -39.1 60.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.23 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -75.93 -33.09 59.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.423 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.692 ' CG ' HD21 ' C' ' 344' ' ' LEU . 1.5 mp -74.22 -31.42 62.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.478 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.474 ' ND2' HD21 ' A' ' 330' ' ' LEU . 12.5 m-20 -71.41 -41.47 69.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.747 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.6 -32.79 66.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.66 -31.95 57.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.576 HD23 ' O ' ' B' ' 344' ' ' LEU . 2.9 mm? -74.77 -30.39 61.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.783 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -71.51 -31.07 66.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -67.22 -37.73 84.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -60.71 -31.94 71.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.54 -36.55 78.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.61 66.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.786 0.327 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -111.88 104.68 12.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.432 ' CG2' HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -65.1 144.24 57.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.964 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.913 HD23 HD11 ' C' ' 332' ' ' ILE . 18.6 tp -144.33 97.52 3.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -77.75 87.87 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.913 HD11 HD23 ' C' ' 330' ' ' LEU . 21.7 mt -92.32 135.74 26.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -101.6 31.35 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.546 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -131.2 108.16 0.79 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.525 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -32.14 70.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -76.28 -54.07 7.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttm105 -56.64 -40.21 75.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.64 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -62.69 -47.02 85.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.365 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.6 -34.37 61.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.682 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.8 mtm -66.46 -58.68 4.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.301 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -60.29 -29.1 68.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.727 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -36.1 80.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.21 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -79.89 -32.2 40.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.273 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.692 HD21 ' CG ' ' B' ' 344' ' ' LEU . 1.5 mt -76.28 -28.73 57.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.507 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -76.39 -41.79 46.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.714 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -74.25 -31.97 62.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.709 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.92 -30.69 50.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.965 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.69 HD13 ' HG3' ' D' ' 337' ' ' ARG . 11.7 mt -76.33 -30.79 57.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.781 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -72.42 -31.04 65.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.8 mt -67.72 -34.27 76.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -61.96 -35.55 78.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -32.01 71.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.85 -43.05 63.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.864 0.364 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -141.87 104.78 4.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.432 HG22 ' CG2' ' C' ' 329' ' ' THR . 0.2 OUTLIER -66.15 127.81 33.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 37.7 tp -125.96 118.57 25.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -93.0 87.02 5.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.569 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.9 mp -80.66 116.45 24.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.7 79.41 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 167.29 131.26 1.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -32.88 61.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -75.86 -50.03 16.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.69 ' HG3' HD13 ' C' ' 348' ' ' LEU . 4.6 ttm180 -56.87 -45.23 82.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.668 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.591 ' CE1' HD13 ' C' ' 330' ' ' LEU . 9.9 t80 -60.81 -45.91 92.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.337 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.91 -34.41 63.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.632 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.54 -59.34 3.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.284 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.54 -28.54 68.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.706 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -67.99 -33.79 75.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.184 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.51 -32.26 36.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.272 179.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.831 ' O ' HD23 ' D' ' 348' ' ' LEU . 0.7 OUTLIER -76.13 -32.3 59.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.438 179.541 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -74.18 -40.38 62.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.713 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -72.79 -32.08 65.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.711 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.53 -31.28 63.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.967 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.831 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.5 mm? -72.83 -40.28 65.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.748 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -66.71 -30.13 70.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.466 HD22 ' NE2' ' A' ' 354' ' ' GLN . 2.8 mt -72.75 -45.4 58.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.773 ' HD3' HD13 ' D' ' 348' ' ' LEU . 5.7 ptmm? -70.25 -30.73 67.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -75.78 -30.98 59.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.84 -31.11 61.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -179.99 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.798 0.333 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -129.52 107.97 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 6.0 m -77.75 146.2 36.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.546 HD12 ' CE1' ' B' ' 338' ' ' PHE . 1.2 tt -148.29 97.43 2.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -75.89 106.14 7.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.494 HG22 ' H ' ' A' ' 334' ' ' GLY . 3.4 mp -99.91 138.39 24.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.145 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -99.46 31.04 3.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.494 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -147.63 127.11 2.54 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 10.2 ttt85 -70.39 -36.02 73.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -67.11 -47.31 71.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.692 ' HG3' HD13 ' B' ' 348' ' ' LEU . 0.1 OUTLIER -56.93 -47.66 80.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.692 179.905 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.436 ' CE2' ' HD3' ' A' ' 342' ' ' ARG . 8.5 t80 -60.01 -45.46 92.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.358 179.683 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -55.35 -34.36 64.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.615 179.723 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.3 ttp -66.92 -59.2 3.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.257 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.428 ' CD2' ' CD2' ' B' ' 341' ' ' PHE . 3.7 m-85 -60.47 -27.45 67.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.705 179.557 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.436 ' HD3' ' CE2' ' A' ' 338' ' ' PHE . 9.8 tpt85 -68.02 -37.49 81.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.964 0.411 . . . . 0.0 110.113 179.374 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -76.94 -32.69 57.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.342 179.462 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.74 HD21 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -73.78 -31.91 63.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.469 179.551 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -71.37 -43.07 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.682 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -69.68 -37.47 76.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.766 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.38 -30.08 65.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 179.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 344' ' ' LEU . 6.4 mt -71.79 -37.09 70.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.809 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -31.82 71.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 mt -66.85 -35.49 80.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -60.86 -37.71 83.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.76 -31.64 71.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.03 -32.99 65.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.973 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.85 0.357 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -150.33 124.44 9.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 10.6 m -90.43 108.96 20.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 33.1 tp -103.95 111.11 23.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -96.79 105.0 17.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.506 HG22 ' H ' ' B' ' 334' ' ' GLY . 3.7 mt -103.96 139.59 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -98.2 30.1 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.506 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -128.71 129.63 6.25 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.366 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 10.7 ttm-85 -77.8 -51.1 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.742 0.306 . . . . 0.0 111.143 -179.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -60.16 -50.76 72.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.078 -179.806 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -60.26 -46.19 90.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.552 179.803 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.546 ' CE1' HD12 ' A' ' 330' ' ' LEU . 3.8 t80 -60.61 -39.57 88.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.293 179.539 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.34 -40.1 77.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.756 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.7 mtm -63.44 -55.96 20.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.39 179.583 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.428 ' CD2' ' CD2' ' A' ' 341' ' ' PHE . 4.0 m-85 -59.59 -31.13 69.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.786 179.771 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -37.97 88.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.944 0.402 . . . . 0.0 110.26 179.496 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -79.19 -30.68 43.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.202 179.267 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.655 ' O ' HD12 ' B' ' 348' ' ' LEU . 0.2 OUTLIER -76.42 -31.57 57.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.474 179.582 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -74.82 -41.34 60.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.656 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.659 ' OE1' HD23 ' B' ' 350' ' ' LEU . 3.1 tm-20 -72.5 -32.69 66.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.767 179.82 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.853 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -75.32 -31.84 60.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.953 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.692 HD13 ' HG3' ' A' ' 337' ' ' ARG . 0.8 OUTLIER -72.84 -34.85 67.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.661 179.82 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -66.67 -31.34 71.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.808 179.877 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.659 HD23 ' OE1' ' B' ' 346' ' ' GLU . 1.8 mm? -72.85 -42.6 63.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.787 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -68.58 -31.3 70.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -70.88 -31.01 67.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.28 -43.67 66.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.983 179.985 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.788 0.328 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -128.15 110.55 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.636 ' CG2' HG22 ' D' ' 329' ' ' THR . 4.5 m -98.36 134.08 41.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.697 HD23 HD11 ' C' ' 332' ' ' ILE . 16.0 tp -123.81 110.07 14.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.412 ' HG3' HG23 ' D' ' 329' ' ' THR . 5.7 mp0 -88.93 85.88 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.697 HD11 HD23 ' C' ' 330' ' ' LEU . 4.2 mt -83.03 138.07 19.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.065 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 9.0 ptt180 -100.11 36.7 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -135.16 116.35 1.54 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.442 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.95 -35.11 74.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -78.84 -47.24 17.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.678 ' HD3' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -57.67 -49.58 76.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.719 179.736 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -61.88 -44.24 97.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.103 179.469 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -56.65 -32.17 65.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.389 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -61.71 1.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.993 179.31 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.49 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 6.7 m-85 -58.35 -28.51 65.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.75 179.428 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -65.88 -39.58 90.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.93 0.395 . . . . 0.0 110.121 179.288 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -75.6 -33.42 60.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.22 179.353 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.608 HD11 HD11 ' B' ' 344' ' ' LEU . 0.3 OUTLIER -72.04 -30.47 65.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.401 179.477 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.8 -46.8 62.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.595 179.729 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.407 ' O ' HD12 ' C' ' 350' ' ' LEU . 0.0 OUTLIER -70.77 -24.88 62.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.898 179.818 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.853 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -78.25 -30.94 48.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.97 179.877 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -75.87 -40.66 54.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.701 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.03 -28.46 64.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.745 179.755 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.407 HD12 ' O ' ' C' ' 346' ' ' GLU . 5.7 mt -71.21 -31.61 67.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.757 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.448 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 6.3 mttp -64.37 -35.76 81.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.81 -31.18 69.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.88 -34.72 73.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.985 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.788 0.328 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -133.96 130.67 38.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.636 HG22 ' CG2' ' C' ' 329' ' ' THR . 0.2 OUTLIER -102.95 111.79 24.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 39.7 tp -105.81 89.36 3.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -72.66 115.83 12.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.456 HG22 ' H ' ' D' ' 334' ' ' GLY . 22.9 mt -124.38 139.14 51.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ptp85 -98.52 30.94 3.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.456 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -128.3 119.64 3.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.413 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -65.38 -47.58 75.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.55 -45.43 90.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.487 ' HG3' ' CE2' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -58.3 -50.1 74.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.695 179.891 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -62.14 -43.79 98.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.143 179.425 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -56.85 -32.59 65.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.389 179.476 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.539 ' O ' HD12 ' D' ' 344' ' ' LEU . 9.4 ttm -67.19 -61.42 1.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.15 179.294 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.487 ' CE2' ' HG3' ' D' ' 337' ' ' ARG . 4.7 m-85 -60.35 -26.8 66.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.772 179.532 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -69.57 -33.29 72.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.241 179.415 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -79.88 -32.57 40.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.412 179.461 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.74 HD21 HD21 ' A' ' 344' ' ' LEU . 3.6 mp -76.66 -30.23 56.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.696 179.67 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -77.12 -37.74 53.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.765 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -74.46 -29.05 61.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.417 ' HA ' ' CD2' ' D' ' 350' ' ' LEU . . . -82.15 -28.86 31.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.042 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.678 HD13 ' HD3' ' C' ' 337' ' ' ARG . 9.8 mt -81.32 -25.44 36.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.909 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -81.62 -30.82 32.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.071 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.697 HD12 ' N ' ' D' ' 351' ' ' LYS . 4.3 pp -79.3 -25.41 42.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.895 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.697 ' N ' HD12 ' D' ' 350' ' ' LEU . 17.9 ttmt -78.25 -30.17 48.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.837 179.879 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.67 -30.95 46.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.72 -32.5 46.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.98 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.844 0.354 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 328' ' ' PHE . 4.7 m-85 -125.21 105.11 8.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.54 152.86 24.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.857 HD23 HD11 ' A' ' 332' ' ' ILE . 17.3 tp -155.88 117.65 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -103.05 83.8 2.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.857 HD11 HD23 ' A' ' 330' ' ' LEU . 3.8 mp -84.56 138.03 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 8.2 ptt85 -95.97 61.08 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -159.49 107.4 0.32 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.422 ' CD ' ' CZ ' ' B' ' 328' ' ' PHE . 15.7 tpt85 -60.39 -49.78 76.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.88 -46.68 83.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.505 ' CG ' HD13 ' B' ' 348' ' ' LEU . 5.1 ttm180 -57.11 -43.91 82.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.799 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.47 ' CE2' HD22 ' B' ' 330' ' ' LEU . 11.7 t80 -60.32 -47.26 86.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.413 179.752 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -54.2 -35.24 62.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.633 179.755 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -65.44 -58.85 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.224 179.478 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.441 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 4.9 m-85 -59.72 -30.52 68.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.946 179.756 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -68.69 -36.89 79.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.93 0.395 . . . . 0.0 110.242 179.488 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.93 -29.36 39.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.217 179.306 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.58 HD21 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -76.82 -31.09 56.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.646 179.582 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -76.28 -41.1 49.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.764 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -75.88 -29.95 58.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.732 179.802 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.58 -30.72 36.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.011 179.78 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.739 HD12 ' HD2' ' B' ' 337' ' ' ARG . 16.3 mt -79.39 -27.3 41.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 179.801 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -77.46 -28.4 52.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.77 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 5.8 mt -73.76 -38.88 64.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -66.38 -30.51 70.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.53 -31.79 73.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.887 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.47 -31.04 60.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.798 0.333 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.422 ' CZ ' ' CD ' ' A' ' 335' ' ' ARG . 15.5 m-85 -132.11 136.96 47.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.95 148.24 31.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.471 ' CD2' HD11 ' B' ' 332' ' ' ILE . 32.1 tp -155.42 113.17 3.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -89.32 98.16 11.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.471 HD11 ' CD2' ' B' ' 330' ' ' LEU . 25.7 mm -84.86 118.02 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -91.07 62.12 4.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -174.5 126.82 1.23 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.86 -40.87 83.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -76.17 -45.65 32.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.739 ' HD2' HD12 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -58.56 -51.17 71.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 179.801 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.665 ' CE2' HD13 ' A' ' 330' ' ' LEU . 6.3 t80 -62.73 -42.97 99.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.079 179.346 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -57.66 -32.61 67.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.414 179.485 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.15 -60.62 2.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.173 179.342 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.492 ' HA ' HD12 ' B' ' 344' ' ' LEU . 5.3 m-85 -59.12 -27.08 65.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.798 179.556 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 26.9 ttt-85 -67.37 -39.24 85.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.198 179.371 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -77.66 -30.98 52.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.241 179.314 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.674 ' O ' HD12 ' B' ' 348' ' ' LEU . 9.8 mt -74.5 -30.27 61.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.515 179.554 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -73.86 -44.48 55.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.721 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -72.85 -30.54 64.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.708 179.779 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.43 -30.47 47.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.008 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.736 HD23 ' HD3' ' B' ' 351' ' ' LYS . 1.4 mt -77.1 -29.66 54.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.917 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.65 -29.43 61.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.831 179.855 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 11.8 mt -72.42 -41.38 66.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.736 ' HD3' HD23 ' B' ' 348' ' ' LEU . 6.8 ptmm? -64.54 -30.47 71.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.739 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.51 -33.05 74.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 179.887 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.57 -30.64 69.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.045 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.958 179.946 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.834 0.349 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.434 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 25.3 m-85 -98.27 100.36 11.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.851 HG23 ' HG3' ' D' ' 331' ' ' GLN . 0.2 OUTLIER -70.81 139.55 50.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.969 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.831 HD23 HD11 ' C' ' 332' ' ' ILE . 13.5 tp -136.24 94.41 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -71.32 84.14 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.831 HD11 HD23 ' C' ' 330' ' ' LEU . 4.7 mt -89.08 134.29 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -96.85 40.89 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.16 116.48 1.47 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.458 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -65.17 -37.32 87.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.51 -47.24 34.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.747 ' CG ' HD13 ' D' ' 348' ' ' LEU . 6.6 mtm180 -56.57 -47.65 79.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.723 179.868 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -59.47 -46.21 89.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.414 179.61 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -54.8 -34.34 62.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.625 179.671 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.599 ' CE ' HD11 ' D' ' 348' ' ' LEU . 4.7 mtm -66.41 -59.22 3.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.268 179.442 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.423 ' HA ' HD12 ' C' ' 344' ' ' LEU . 5.3 m-85 -59.73 -28.82 67.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.757 179.638 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 11.6 ttp85 -66.81 -35.46 80.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.952 0.406 . . . . 0.0 110.212 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -80.58 -31.56 36.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.287 179.351 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.644 ' O ' HD12 ' C' ' 348' ' ' LEU . 13.7 mt -76.93 -29.07 55.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.572 179.509 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -76.92 -41.18 44.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.687 179.827 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.574 ' O ' HD12 ' C' ' 350' ' ' LEU . 1.6 tt0 -74.73 -30.42 61.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.757 179.839 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.496 ' HB2' ' HD2' ' B' ' 351' ' ' LYS . . . -79.08 -30.43 43.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.044 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.644 HD12 ' O ' ' C' ' 344' ' ' LEU . 2.6 mt -79.14 -28.75 42.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -80.94 -30.49 35.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.757 179.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.574 HD12 ' O ' ' C' ' 346' ' ' GLU . 2.4 mt -79.43 -33.42 42.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 179.818 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -28.81 55.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 179.845 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.11 -30.95 58.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.93 65.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.037 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.979 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.807 0.337 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -128.04 111.26 13.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 4.3 m -85.99 108.13 18.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.585 HD22 HG13 ' D' ' 332' ' ' ILE . 1.4 tt -108.86 110.54 21.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.851 ' HG3' HG23 ' C' ' 329' ' ' THR . 4.4 mt-30 -83.51 84.52 7.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.585 HG13 HD22 ' D' ' 330' ' ' LEU . 3.6 mp -70.26 127.48 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -99.81 75.17 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.23 139.84 4.1 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 10.0 tpt85 -75.38 -56.48 4.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.762 0.315 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -68.4 -42.97 78.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.505 ' CG ' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -57.84 -49.31 77.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.71 179.861 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.434 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 10.2 t80 -59.58 -46.27 89.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.337 179.603 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.43 -34.14 64.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.638 179.665 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.1 ttm -66.29 -58.38 5.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.296 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.417 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 3.3 m-85 -60.56 -29.94 69.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.797 179.692 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -68.34 -38.25 81.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.194 179.446 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -77.49 -32.23 54.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.31 179.334 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.682 ' O ' HD12 ' D' ' 348' ' ' LEU . 79.6 mt -74.27 -30.63 62.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.496 179.558 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.551 ' OD1' HG23 ' C' ' 332' ' ' ILE . 1.4 t30 -72.7 -43.88 62.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.679 179.679 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -71.2 -36.25 71.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.775 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.05 -26.58 59.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.747 HD13 ' CG ' ' C' ' 337' ' ' ARG . 1.5 mt -75.39 -34.97 61.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.56 -26.63 65.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.974 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 8.0 mt -71.79 -46.02 59.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.989 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -62.94 -29.71 71.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.11 -31.7 72.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.55 -31.13 70.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.973 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.426 ' CE2' ' HG3' ' B' ' 333' ' ' ARG . 5.8 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.795 0.331 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -123.65 97.93 5.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.41 HG23 ' HG3' ' B' ' 331' ' ' GLN . 0.2 OUTLIER -65.42 128.05 34.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.438 ' O ' HD12 ' A' ' 332' ' ' ILE . 9.2 tp -131.94 114.2 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.469 ' HG3' HG23 ' B' ' 329' ' ' THR . 2.8 mp0 -81.45 134.09 35.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.438 HD12 ' O ' ' A' ' 330' ' ' LEU . 3.5 mp -136.77 135.27 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.48 33.31 2.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.432 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -136.51 120.63 2.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -70.6 -40.03 73.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.12 -57.75 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.472 ' HB3' HD13 ' B' ' 348' ' ' LEU . 12.8 ptp180 -55.32 -46.64 76.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.72 179.847 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.523 ' CE2' HD12 ' B' ' 330' ' ' LEU . 3.9 t80 -60.75 -39.78 89.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.326 179.612 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.9 -39.24 77.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.63 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.8 ttm -63.8 -55.58 21.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.432 179.646 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.47 -32.57 71.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.726 179.716 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.412 ' HD3' ' CZ ' ' A' ' 338' ' ' PHE . 28.8 tpt85 -65.18 -34.9 79.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.955 0.407 . . . . 0.0 110.242 179.483 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -79.86 -31.56 40.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.271 179.378 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.636 ' CG ' HD21 ' D' ' 344' ' ' LEU . 0.9 OUTLIER -75.32 -30.42 60.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.524 179.618 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -75.21 -43.13 53.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.61 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.68 -31.7 67.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.677 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.856 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -73.82 -31.39 63.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.96 179.762 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.415 HD13 ' HB3' ' B' ' 337' ' ' ARG . 32.4 mt -72.13 -39.5 68.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.771 179.865 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -69.12 -31.22 69.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.03 -38.73 72.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -66.0 -37.0 84.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -68.12 -34.34 76.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.15 -31.19 62.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.981 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.826 0.346 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -147.63 104.9 3.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.469 HG23 ' HG3' ' A' ' 331' ' ' GLN . 0.8 OUTLIER -76.75 112.77 13.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.523 HD12 ' CE2' ' A' ' 338' ' ' PHE . 2.1 tt -106.72 104.74 14.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.41 ' HG3' HG23 ' A' ' 329' ' ' THR . 11.9 mt-30 -76.62 102.62 6.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.516 HD12 ' O ' ' B' ' 330' ' ' LEU . 3.4 mp -97.12 118.51 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.426 ' HG3' ' CE2' ' A' ' 327' ' ' TYR . 4.3 mtp180 -92.15 75.27 5.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 179.898 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 170.13 134.87 1.81 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.514 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 22.3 ttp85 -75.59 -32.11 60.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -73.61 -58.87 3.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.415 ' HB3' HD13 ' A' ' 348' ' ' LEU . 3.7 ptp180 -55.79 -41.12 73.64 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.435 ' CE2' HD13 ' A' ' 330' ' ' LEU . 3.8 t80 -63.22 -39.51 94.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.305 179.687 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -57.9 -40.39 80.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.656 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -63.16 -54.91 30.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.481 179.676 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -61.79 -32.56 72.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.752 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -38.54 83.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.293 179.495 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -77.51 -31.8 53.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.305 179.448 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.754 HD21 HD23 ' C' ' 344' ' ' LEU . 88.0 mt -75.01 -29.55 60.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.649 179.574 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -74.75 -42.42 58.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.754 179.802 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -71.04 -32.58 69.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.751 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.61 -31.91 63.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.967 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.472 HD13 ' HB3' ' A' ' 337' ' ' ARG . 13.6 mt -72.05 -37.68 69.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 179.869 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -66.67 -30.46 70.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 33.2 mt -66.95 -41.21 87.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -60.26 -31.53 70.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.2 -33.79 72.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.32 -33.91 75.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.989 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -107.01 97.57 7.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 2.0 m -67.82 104.95 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 40.6 tp -111.23 116.23 30.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -97.84 115.88 28.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -117.0 145.84 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.423 ' HD3' ' CE1' ' D' ' 327' ' ' TYR . 13.3 ttp85 -97.35 69.3 2.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -172.96 120.61 0.82 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.465 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -69.25 -32.3 71.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -77.65 -50.88 11.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.49 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -56.54 -47.53 79.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.757 179.826 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.843 ' CE2' HD13 ' D' ' 330' ' ' LEU . 8.1 t80 -62.46 -44.58 96.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.159 179.427 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -56.05 -32.34 63.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.458 179.498 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.478 ' O ' HD12 ' C' ' 344' ' ' LEU . 2.2 ttp -67.2 -61.81 1.73 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.074 179.27 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.49 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 6.0 m-85 -59.64 -27.56 66.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.532 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -33.85 74.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.915 0.388 . . . . 0.0 110.135 179.373 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -78.68 -32.74 47.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.297 179.437 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.754 HD23 HD21 ' B' ' 344' ' ' LEU . 4.3 mp -73.77 -33.87 64.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.429 179.588 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -71.0 -42.69 69.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.534 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -66.88 -37.42 84.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.647 179.753 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.86 -35.28 80.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' C' ' 348' ' ' LEU . 0.7 OUTLIER -65.58 -45.07 84.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.678 179.859 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -59.99 -31.63 70.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.8 mp -67.87 -45.45 74.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -60.39 -31.68 70.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.75 -31.56 66.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.67 -31.45 68.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.971 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.423 ' CE1' ' HD3' ' C' ' 333' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.847 0.356 . . . . 0.0 110.848 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -136.45 128.44 29.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.36 141.45 28.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.843 HD13 ' CE2' ' C' ' 338' ' ' PHE . 11.0 tp -140.57 107.41 5.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -91.61 101.21 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.514 HD11 HD23 ' D' ' 330' ' ' LEU . 3.5 mp -98.61 120.27 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -82.94 76.25 9.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.89 133.97 1.86 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -74.37 -33.97 63.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.64 -45.21 22.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.969 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.459 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 2.2 tpp180 -58.23 -50.2 74.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.715 179.825 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -62.13 -44.32 96.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.106 179.423 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -56.87 -32.54 65.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.448 179.479 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.3 ttp -66.82 -60.23 2.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.237 179.399 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.459 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.4 m-85 -59.34 -28.57 66.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.777 179.524 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -66.47 -36.59 83.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.095 179.301 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.03 -32.72 57.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.311 179.429 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.817 ' O ' HD23 ' D' ' 348' ' ' LEU . 1.0 OUTLIER -72.55 -30.56 64.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.54 179.562 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -72.83 -45.65 57.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.729 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -69.6 -31.84 70.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.798 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.856 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -74.66 -32.41 62.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.036 179.87 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.817 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.3 mm? -72.19 -34.44 68.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.95 -31.69 68.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -71.18 -34.22 70.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -66.39 -35.82 81.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.85 -31.55 72.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.24 -40.22 62.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.99 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.836 0.351 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.438 ' CZ ' ' HD3' ' B' ' 335' ' ' ARG . 40.1 m-85 -152.8 100.78 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 6.8 m -72.0 137.97 47.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.444 ' CD2' HD11 ' A' ' 332' ' ' ILE . 43.5 tp -137.53 109.45 7.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -89.87 98.63 11.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.559 HG22 ' H ' ' A' ' 334' ' ' GLY . 26.3 mm -81.71 128.38 38.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.71 30.93 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.559 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -138.94 123.95 2.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.59 -43.3 99.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.341 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -75.23 -51.83 12.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -56.09 -41.98 76.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.704 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.429 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 12.2 t80 -62.04 -47.79 83.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.375 179.613 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -54.61 -33.95 61.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.691 179.73 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.498 ' O ' HD12 ' A' ' 344' ' ' LEU . 2.8 mtp -66.29 -58.04 6.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.336 179.537 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.414 ' HB3' ' CG ' ' B' ' 341' ' ' PHE . 3.1 m-85 -60.95 -30.62 70.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.807 179.713 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.48 -37.74 80.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.421 . . . . 0.0 110.22 179.468 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -78.77 -30.9 45.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.201 179.317 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.696 ' CG ' HD21 ' D' ' 344' ' ' LEU . 1.0 OUTLIER -75.1 -31.55 61.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.546 179.525 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.444 ' OD1' HD13 ' B' ' 332' ' ' ILE . 4.4 t30 -73.59 -43.05 60.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.719 179.817 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.455 ' O ' HD23 ' A' ' 350' ' ' LEU . 5.6 tt0 -73.16 -31.62 64.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.687 179.794 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.556 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -77.26 -31.54 55.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.856 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.665 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.6 OUTLIER -74.94 -31.42 61.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.754 179.848 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -70.43 -30.72 67.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.81 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 346' ' ' GLU . 2.3 mm? -65.81 -36.98 85.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -59.7 -38.57 81.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.91 -38.48 85.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.17 -31.47 62.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.99 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.848 0.356 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.429 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 23.4 m-85 -142.67 103.23 4.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.3 m -63.06 148.97 46.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.463 HD23 HD11 ' B' ' 332' ' ' ILE . 11.1 tp -148.23 94.35 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -82.36 127.25 33.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.466 HD13 ' HE1' ' B' ' 341' ' ' PHE . 22.6 mt -134.88 152.48 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -105.19 36.42 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.77 125.12 4.02 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.438 ' HD3' ' CZ ' ' A' ' 328' ' ' PHE . 14.3 tpt180 -73.08 -39.35 65.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -74.17 -42.32 60.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.571 ' HG3' HD13 ' A' ' 348' ' ' LEU . 6.3 ttm180 -57.88 -49.53 76.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.711 179.882 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.444 ' CE2' HD13 ' A' ' 330' ' ' LEU . 10.2 t80 -59.65 -46.42 89.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.36 179.644 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -55.87 -33.03 64.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.59 179.699 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.4 ttp -67.0 -58.67 4.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.337 179.457 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.466 ' HE1' HD13 ' B' ' 332' ' ' ILE . 3.4 m-85 -61.06 -29.65 69.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.689 179.677 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -68.17 -37.23 80.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.214 179.355 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.4 -33.9 54.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.143 179.318 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.81 ' O ' HD23 ' B' ' 348' ' ' LEU . 0.5 OUTLIER -71.12 -29.73 65.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.359 179.416 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -72.34 -49.39 34.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.619 179.695 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.33 -28.9 69.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.826 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.672 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -72.86 -36.07 67.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.064 179.926 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.81 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.7 mm? -69.28 -37.34 77.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.821 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.29 -30.94 66.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 16.2 mt -72.48 -37.9 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.57 ' HE3' ' HB2' ' C' ' 347' ' ' ALA . 19.8 mttm -67.07 -31.5 72.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.85 -31.67 61.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.16 -32.48 64.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.958 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.826 0.346 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.403 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 6.6 m-85 -127.76 103.91 7.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.534 HG22 ' CG2' ' D' ' 329' ' ' THR . 0.2 OUTLIER -63.12 103.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.654 HD13 ' CE2' ' D' ' 338' ' ' PHE . 7.0 tp -100.04 117.14 33.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -91.05 114.22 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.593 HG23 ' OD1' ' D' ' 345' ' ' ASN . 3.9 mp -109.37 141.29 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.094 -179.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -106.06 73.12 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.18 130.2 1.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -30.57 63.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -74.14 -55.24 6.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -55.62 -40.14 71.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.712 179.867 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -63.31 -47.51 81.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.335 179.553 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -54.63 -33.83 61.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.666 179.708 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.6 mmm -66.4 -58.43 5.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.323 179.519 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.408 ' CD2' ' CD1' ' D' ' 341' ' ' PHE . 4.1 m-85 -59.96 -29.59 68.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.819 179.677 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -36.44 81.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.179 179.365 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -79.01 -32.01 44.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.273 179.345 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.826 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.8 OUTLIER -75.0 -30.27 61.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.528 179.538 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -74.66 -42.78 57.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.697 179.801 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.454 ' O ' HD23 ' C' ' 350' ' ' LEU . 3.9 mt-10 -70.93 -32.55 69.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.748 179.763 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.672 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -73.43 -32.97 64.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.826 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.3 mm? -70.88 -37.62 73.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.675 179.883 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.73 -31.24 72.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.454 HD23 ' O ' ' C' ' 346' ' ' GLU . 2.8 mm? -67.01 -46.3 74.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.822 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 11.2 mttt -60.07 -36.01 76.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.87 -32.13 72.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.36 -31.12 62.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.06 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.984 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.793 0.33 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -84.61 99.5 10.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.534 ' CG2' HG22 ' C' ' 329' ' ' THR . 14.7 m -73.99 135.61 43.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.522 HD23 HD11 ' D' ' 332' ' ' ILE . 19.4 tp -134.31 103.33 5.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -70.38 111.14 5.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.548 HG22 ' H ' ' D' ' 334' ' ' GLY . 28.4 mm -96.52 130.04 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.53 30.83 3.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.548 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -147.33 119.32 1.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -32.18 70.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 0.0 110.934 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -75.43 -52.78 9.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttm105 -56.9 -38.86 73.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.649 179.824 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.654 ' CE2' HD13 ' C' ' 330' ' ' LEU . 12.1 t80 -63.29 -48.0 79.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.381 179.627 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.45 -33.44 59.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.656 179.682 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.0 ttm -66.84 -58.96 4.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.313 179.473 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.408 ' CD1' ' CD2' ' C' ' 341' ' ' PHE . 3.5 m-85 -61.1 -29.62 69.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.73 179.596 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 28.2 ttp85 -68.66 -35.57 77.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.968 0.413 . . . . 0.0 110.174 179.398 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -80.05 -31.28 39.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.191 179.306 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.8 ' O ' HD23 ' D' ' 348' ' ' LEU . 0.5 OUTLIER -75.13 -31.3 61.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.488 179.484 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.593 ' OD1' HG23 ' C' ' 332' ' ' ILE . 44.5 t30 -74.73 -43.47 54.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.613 179.794 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -71.05 -30.8 67.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.812 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.556 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -76.22 -34.53 59.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 179.892 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.8 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.6 mm? -72.25 -30.75 65.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 179.774 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -73.49 -44.05 58.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.824 HD12 ' N ' ' D' ' 351' ' ' LYS . 4.3 pp -69.58 -31.47 69.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.918 0.389 . . . . 0.0 110.503 179.809 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.824 ' N ' HD12 ' D' ' 350' ' ' LEU . 3.8 mtpt -72.43 -42.3 65.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.436 179.613 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.03 -31.41 72.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.842 179.886 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.73 87.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.945 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.432 ' CZ ' ' HG2' ' B' ' 333' ' ' ARG . 52.2 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.864 0.364 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.426 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 8.2 m-85 -127.61 112.36 14.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.94 132.44 53.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.846 HD13 ' CE1' ' B' ' 338' ' ' PHE . 15.7 tp -135.52 116.55 14.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -103.76 119.11 38.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 27.5 mm -111.37 152.25 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -110.69 37.68 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -144.23 129.53 3.64 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 -64.55 -66.54 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -59.68 -37.62 79.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.831 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.679 ' NE ' HD11 ' B' ' 348' ' ' LEU . 1.5 tpt180 -59.5 -51.5 69.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.647 179.82 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.783 ' CZ ' HD13 ' B' ' 330' ' ' LEU . 10.1 t80 -60.76 -46.85 88.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.111 179.499 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -55.66 -32.2 63.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.402 179.478 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.9 ttp -66.74 -60.9 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.1 179.35 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.573 ' HE1' HD22 ' B' ' 344' ' ' LEU . 4.0 m-85 -60.15 -29.17 68.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 179.575 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.13 -41.87 69.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.077 179.283 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -75.61 -30.64 59.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.18 179.198 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.917 HD21 HD22 ' D' ' 344' ' ' LEU . 3.6 tp -72.73 -30.88 64.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.465 179.552 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -72.43 -46.9 52.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.642 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.45 -24.77 61.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.848 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.419 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . . . -83.55 -27.52 29.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 179.859 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.886 HD13 ' HD3' ' A' ' 351' ' ' LYS . 3.6 mm? -81.38 -27.7 34.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.004 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -81.09 -29.28 34.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.188 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.783 HD12 ' N ' ' A' ' 351' ' ' LYS . 4.1 pp -80.9 -28.51 35.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.886 ' HD3' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -78.33 -29.2 47.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.821 0.344 . . . . 0.0 110.641 179.725 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.61 -31.02 67.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.663 179.774 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.34 -30.88 71.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.984 179.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.941 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.798 0.332 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -137.39 122.8 19.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.1 153.04 26.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.783 HD13 ' CZ ' ' A' ' 338' ' ' PHE . 7.5 tp -155.12 112.12 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -87.07 84.46 7.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.453 HD11 HD23 ' B' ' 330' ' ' LEU . 29.2 mm -75.47 109.76 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.432 ' HG2' ' CZ ' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -65.28 -30.62 71.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.959 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -75.14 133.89 15.86 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.563 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -74.14 -57.15 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.1 -38.45 83.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.459 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 1.2 tpp180 -59.74 -51.74 68.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.755 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.846 ' CE1' HD13 ' A' ' 330' ' ' LEU . 8.0 t80 -59.55 -44.28 93.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.273 179.562 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.44 -34.99 64.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.533 179.529 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.93 -60.07 3.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.22 179.413 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.459 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 4.2 m-85 -60.67 -28.43 68.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.609 179.59 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -32.84 74.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.102 179.289 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -77.99 -32.7 51.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.317 179.381 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.632 HD21 HD21 ' C' ' 344' ' ' LEU . 3.2 mp -73.04 -37.45 66.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.437 179.58 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -69.06 -40.66 78.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.608 179.804 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.732 ' O ' HD23 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -66.8 -34.96 78.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.656 179.749 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.582 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -65.39 -40.37 93.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.84 179.791 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.679 HD11 ' NE ' ' A' ' 337' ' ' ARG . 8.6 mt -63.12 -44.37 95.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.82 179.836 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -62.15 -31.43 71.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.732 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.7 mm? -74.41 -32.87 62.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.85 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -30.91 67.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -69.87 -31.89 69.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.07 -38.49 79.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.968 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.866 0.365 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.409 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 5.4 m-85 -126.12 113.41 17.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.55 104.39 11.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.664 HD13 ' CE1' ' D' ' 338' ' ' PHE . 23.1 tp -95.01 114.38 26.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -88.61 97.17 10.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.541 HD11 HD23 ' C' ' 330' ' ' LEU . 3.3 mp -96.14 126.3 48.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -98.75 33.82 2.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.488 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -136.67 115.62 1.3 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.0 ptt-85 -61.22 -35.98 78.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -74.32 -54.46 7.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.552 ' CG ' HD13 ' D' ' 348' ' ' LEU . 2.5 mtm105 -55.43 -42.34 74.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.668 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -61.0 -45.7 93.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.391 179.659 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -54.08 -36.66 63.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.64 179.712 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -65.39 -59.35 4.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.259 179.39 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.481 ' CD1' ' CD2' ' D' ' 341' ' ' PHE . 4.5 m-85 -58.96 -27.28 65.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.708 179.588 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -39.01 88.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.99 0.424 . . . . 0.0 110.138 179.373 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.69 -32.55 57.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.27 179.394 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.632 HD21 HD21 ' B' ' 344' ' ' LEU . 1.3 mt -73.39 -29.78 62.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.506 179.508 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.434 ' ND2' HD21 ' D' ' 330' ' ' LEU . 23.5 m-20 -72.96 -45.12 59.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.707 179.806 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.442 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.6 mm-40 -71.32 -33.91 70.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.742 179.855 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.582 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -76.5 -29.65 56.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.998 179.817 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.763 HD13 ' HD3' ' D' ' 337' ' ' ARG . 9.9 mt -76.24 -29.44 57.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -77.38 -32.06 54.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.823 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.442 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.7 mm? -77.16 -37.97 52.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.808 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.04 -28.77 57.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.864 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -78.82 -30.55 45.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 179.88 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.32 -30.81 57.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.062 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 179.958 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.788 0.328 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -111.43 99.26 8.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 30.4 m -68.41 128.89 38.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.434 HD21 ' ND2' ' C' ' 345' ' ' ASN . 53.0 tp -127.39 110.76 13.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -85.58 123.79 31.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.653 HG21 ' HG2' ' D' ' 337' ' ' ARG . 4.6 mt -125.15 137.39 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -97.86 36.41 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.28 120.32 2.18 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -59.95 4.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 110.937 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -59.86 -33.86 72.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.763 ' HD3' HD13 ' C' ' 348' ' ' LEU . 6.5 ttp180 -60.93 -54.0 50.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.647 179.76 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.664 ' CE1' HD13 ' C' ' 330' ' ' LEU . 8.6 t80 -61.02 -45.56 94.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.062 179.399 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -56.78 -31.55 64.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.351 179.421 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.3 ttp -67.1 -60.71 2.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.213 179.342 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.481 ' CD2' ' CD1' ' C' ' 341' ' ' PHE . 3.6 m-85 -60.97 -28.57 69.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.776 179.606 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -70.66 -37.71 73.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.939 0.399 . . . . 0.0 110.25 179.45 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -79.01 -31.28 44.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.289 179.292 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.917 HD22 HD21 ' A' ' 344' ' ' LEU . 66.1 mt -76.04 -29.35 58.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.578 179.564 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -75.67 -42.12 52.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.639 179.772 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -71.76 -32.58 67.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.699 179.828 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.47 -34.11 63.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.7 HD12 ' O ' ' D' ' 344' ' ' LEU . 0.4 OUTLIER -71.14 -34.18 70.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.691 179.825 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -66.01 -30.24 70.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.6 mp -62.74 -40.55 97.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -59.26 -39.97 84.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.52 -32.95 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.04 -31.21 61.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.067 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.995 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.4 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 12.9 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -106.36 100.66 10.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.12 150.99 47.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.8 HD13 ' CE1' ' B' ' 338' ' ' PHE . 14.1 tp -152.79 106.57 3.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -84.55 119.63 25.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 28.0 mm -115.8 121.69 67.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.44 ' HG2' ' CE2' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -64.98 -30.87 71.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 179.937 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -70.84 131.51 21.14 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.526 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.425 ' HG3' ' CZ ' ' B' ' 328' ' ' PHE . 11.4 ttp180 -75.35 -57.63 3.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -61.67 -39.31 90.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.775 ' NE ' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -59.76 -51.91 67.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.754 179.894 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.448 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 7.7 t80 -59.99 -43.86 94.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.288 179.559 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.51 -34.06 66.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.416 179.557 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.8 tpp -66.63 -60.77 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.104 179.342 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.449 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 3.8 m-85 -61.03 -28.54 69.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.792 179.546 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -70.29 -38.09 74.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.958 0.409 . . . . 0.0 110.032 179.361 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.02 -30.36 61.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.099 179.153 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.861 HD21 HD11 ' D' ' 344' ' ' LEU . 0.1 OUTLIER -71.97 -42.49 66.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.476 179.537 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -65.0 -38.75 91.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.737 179.856 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -70.45 -30.89 67.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.48 -31.8 67.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.4 mm? -72.31 -44.38 62.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 179.927 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -68.02 -28.24 67.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.49 -37.55 65.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -69.59 -32.35 71.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.54 -34.22 72.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.35 -31.01 70.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.068 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.456 HE22 HD12 ' D' ' 350' ' ' LEU . 57.8 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.44 ' CE2' ' HG2' ' A' ' 333' ' ' ARG . 13.0 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.448 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 19.5 m-85 -135.86 107.83 7.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 4.2 m -69.82 125.63 27.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 19.2 tp -111.64 110.28 20.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -90.29 88.05 7.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.426 HG21 ' HB3' ' B' ' 337' ' ' ARG . 4.0 mt -85.41 149.52 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 6.0 ttt180 -117.13 42.99 2.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -155.36 137.16 5.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.74 -41.14 68.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -74.74 -40.33 61.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.782 179.878 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.452 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 2.0 tpp180 -59.26 -51.39 70.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.623 179.803 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.8 ' CE1' HD13 ' A' ' 330' ' ' LEU . 8.9 t80 -61.09 -45.64 93.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.169 179.464 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.33 -32.4 64.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.483 179.542 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttm -66.57 -59.84 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.193 179.351 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.452 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 5.5 m-85 -59.48 -30.86 68.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.726 179.614 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -65.97 -39.61 90.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.984 0.421 . . . . 0.0 109.938 179.288 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -74.71 -29.83 61.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.905 178.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 1.007 HD12 HD11 ' B' ' 348' ' ' LEU . 0.1 OUTLIER -71.9 -44.07 64.34 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.457 179.459 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -65.36 -38.68 90.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.802 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -73.24 -37.35 66.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.761 179.822 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.58 -30.25 61.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.969 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 1.007 HD11 HD12 ' B' ' 344' ' ' LEU . 21.0 mt -75.6 -30.75 59.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.824 179.876 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -71.81 -29.17 64.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.14 -38.74 78.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -62.7 -39.01 92.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.24 -38.24 88.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.61 -31.9 72.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.05 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.989 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.404 ' CZ ' ' HG3' ' D' ' 333' ' ' ARG . 26.3 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.786 0.327 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -97.98 98.94 10.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.446 HG23 ' HG3' ' D' ' 331' ' ' GLN . 13.7 m -74.25 120.32 19.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.676 HD23 HD11 ' C' ' 332' ' ' ILE . 22.3 tp -107.47 123.97 49.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -98.71 85.81 3.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.676 HD11 HD23 ' C' ' 330' ' ' LEU . 3.7 mp -83.26 126.64 40.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -98.76 30.94 3.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.574 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -126.74 136.68 9.56 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.443 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -74.44 -51.11 15.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -73.96 -47.68 35.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.991 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -56.7 -44.1 81.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.76 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.43 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 12.5 t80 -61.15 -48.09 83.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.38 179.634 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -54.95 -32.96 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.696 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 3.7 ttp -67.01 -57.3 7.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.399 179.576 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.531 ' HE1' HD22 ' D' ' 344' ' ' LEU . 2.2 m-85 -61.63 -30.74 70.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.709 179.649 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -67.81 -36.84 81.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.231 179.442 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -77.06 -31.76 56.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.271 179.349 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.755 HD21 ' CD2' ' B' ' 344' ' ' LEU . 0.1 OUTLIER -74.2 -35.48 63.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.656 179.592 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -71.07 -38.63 72.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.758 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.79 -33.38 72.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.63 -37.39 76.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.046 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.691 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.1 mm? -67.82 -39.84 83.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -64.93 -31.33 72.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.5 mt -71.92 -40.81 68.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -66.66 -31.52 72.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -67.36 -33.44 75.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.12 -31.7 68.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.995 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.834 0.349 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.43 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 26.1 m-85 -139.9 109.97 6.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 2.4 m -86.53 142.54 28.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.928 HD23 HD11 ' D' ' 332' ' ' ILE . 9.9 tp -141.98 105.95 4.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.446 ' HG3' HG23 ' C' ' 329' ' ' THR . 33.1 mt-30 -87.3 110.4 20.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.928 HD11 HD23 ' D' ' 330' ' ' LEU . 4.5 mt -115.0 144.86 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.06 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.404 ' HG3' ' CZ ' ' C' ' 327' ' ' TYR . 4.7 ttp180 -98.46 35.69 1.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -130.02 122.52 3.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.449 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -45.98 69.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -71.71 -40.63 69.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.462 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 1.9 tpp180 -59.35 -51.59 69.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.626 179.849 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.509 ' CE2' HD13 ' C' ' 330' ' ' LEU . 8.3 t80 -61.0 -44.71 97.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.161 179.501 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -56.84 -32.43 65.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.461 179.57 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.5 ttm -67.03 -59.85 3.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.225 179.398 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.462 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.1 m-85 -59.92 -29.27 68.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.74 179.595 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -67.05 -39.56 86.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.013 179.266 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -76.2 -32.75 59.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.171 179.247 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.861 HD11 HD21 ' A' ' 344' ' ' LEU . 0.1 OUTLIER -71.62 -30.39 65.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.394 179.413 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.672 HD21 HG23 ' C' ' 332' ' ' ILE . 2.1 t-20 -71.43 -48.28 50.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.709 179.737 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.609 ' O ' HD23 ' D' ' 350' ' ' LEU . 40.1 mt-10 -67.9 -31.72 71.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.5 -33.37 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.048 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.406 HD23 HD23 ' D' ' 344' ' ' LEU . 1.6 mm? -72.97 -29.91 63.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 179.921 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -70.81 -31.17 67.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.609 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.9 mm? -68.95 -36.45 77.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -63.12 -32.57 73.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.84 -33.6 68.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.7 -32.2 60.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.999 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.847 0.356 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -124.98 110.79 14.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 1.2 p -75.23 119.93 20.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 1.029 HD23 HD11 ' A' ' 332' ' ' ILE . 8.0 tp -106.36 113.47 27.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -99.72 101.56 12.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 1.029 HD11 HD23 ' A' ' 330' ' ' LEU . 3.8 mp -97.62 145.09 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 59.8 ttt-85 -98.13 35.04 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -147.12 122.02 1.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -65.02 -31.9 73.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -75.05 -50.61 15.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.719 ' CG ' HD13 ' B' ' 348' ' ' LEU . 6.3 mtm180 -56.75 -43.4 80.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 179.842 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.436 ' CE1' HD13 ' B' ' 330' ' ' LEU . 11.2 t80 -61.1 -46.81 89.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.425 179.673 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -54.71 -34.38 62.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.683 179.671 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.2 ttp -66.59 -58.79 4.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.261 179.465 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -60.08 -28.52 67.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.777 179.625 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -67.61 -36.62 81.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.936 0.398 . . . . 0.0 110.196 179.414 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -78.63 -32.74 47.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.351 179.433 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.78 ' O ' HD23 ' A' ' 348' ' ' LEU . 81.0 mt -76.15 -29.2 57.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.591 179.589 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.485 ' OD1' HG23 ' B' ' 332' ' ' ILE . 16.7 t30 -75.6 -40.06 57.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.743 179.812 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -72.9 -34.08 66.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.781 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.586 ' HB2' ' NZ ' ' D' ' 351' ' ' LYS . . . -75.61 -31.65 59.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 179.876 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.78 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.5 mm? -74.48 -31.61 62.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.752 179.882 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -70.2 -31.67 69.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.869 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.56 -33.15 68.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.798 179.906 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -67.1 -37.56 84.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.813 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.78 -41.44 99.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.17 -34.67 75.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.985 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.789 0.328 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -129.39 130.69 46.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.6 m -91.65 137.39 32.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.588 HD23 HD11 ' B' ' 332' ' ' ILE . 15.8 tp -133.04 98.63 4.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -81.21 110.85 17.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.588 HD11 HD23 ' B' ' 330' ' ' LEU . 22.2 mt -118.45 142.77 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -97.57 37.85 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.36 108.46 0.55 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.453 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -60.78 -31.23 70.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.47 -52.51 18.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -56.11 -41.76 75.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.71 179.817 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -61.96 -47.29 85.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.39 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -54.86 -33.91 62.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.654 179.745 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.3 tpp -66.46 -58.38 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.294 179.507 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.531 ' HE1' HD13 ' B' ' 332' ' ' ILE . 3.9 m-85 -60.15 -30.04 69.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.782 179.633 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.15 -35.87 80.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.162 179.471 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.0 -31.99 39.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.241 179.37 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.809 HD22 HD11 ' C' ' 344' ' ' LEU . 17.9 mt -75.9 -30.68 58.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.433 179.531 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.5 ' ND2' HG23 ' A' ' 332' ' ' ILE . 53.0 t-20 -75.47 -42.6 52.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.637 179.727 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -72.52 -31.41 65.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.71 179.779 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.45 -33.01 58.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.996 179.825 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.719 HD13 ' CG ' ' A' ' 337' ' ' ARG . 0.6 OUTLIER -73.66 -31.57 63.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.736 179.837 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -69.79 -31.76 69.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 179.862 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 10.7 mt -67.56 -43.52 80.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -60.23 -31.78 70.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.19 -31.5 70.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.93 -40.16 60.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.427 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 9.4 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -130.44 97.7 4.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 4.1 m -64.78 113.7 3.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.706 HD13 ' CE1' ' D' ' 338' ' ' PHE . 14.2 tp -122.65 111.58 16.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -91.24 83.81 5.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.556 ' H ' HD12 ' C' ' 332' ' ' ILE . 3.8 mp -78.27 128.11 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.446 ' CD ' ' CE1' ' D' ' 327' ' ' TYR . 10.7 ttp180 -94.16 71.88 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -174.28 112.13 0.4 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.448 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.5 -31.46 70.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -76.96 -57.86 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.733 ' CG ' HD13 ' D' ' 348' ' ' LEU . 3.9 mtm180 -55.25 -40.65 71.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.721 179.801 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -63.12 -45.68 90.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.368 179.563 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -55.01 -35.05 63.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.634 179.706 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -66.09 -58.98 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.251 179.462 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.443 ' CD2' ' CD1' ' D' ' 341' ' ' PHE . 3.6 m-85 -61.27 -29.63 69.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.746 179.625 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -69.0 -36.56 77.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.199 179.356 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.69 -31.67 41.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.176 179.277 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.809 HD11 HD22 ' B' ' 344' ' ' LEU . 0.1 OUTLIER -75.84 -30.2 58.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.538 179.513 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -75.15 -42.0 57.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.717 179.793 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.29 -31.85 66.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.748 179.863 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.46 -32.75 60.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.944 179.869 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.808 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.5 mm? -72.82 -34.13 66.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.746 179.838 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -68.15 -31.03 70.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.6 mt -66.11 -42.11 89.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -60.93 -31.81 71.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.54 -33.64 69.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.91 -34.83 66.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.986 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.446 ' CE1' ' CD ' ' C' ' 333' ' ' ARG . 8.1 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.823 0.344 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -103.34 115.85 31.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.79 129.72 40.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 40.0 tp -133.13 108.5 8.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.15 114.58 26.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.418 HG21 ' HD2' ' D' ' 337' ' ' ARG . 3.8 mp -111.35 134.73 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.427 ' HG3' ' CE2' ' C' ' 327' ' ' TYR . 2.2 ttm105 -93.59 61.97 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -170.79 128.94 1.7 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.39 -30.2 61.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.75 0.31 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -77.27 -50.37 13.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.418 ' HD2' HG21 ' D' ' 332' ' ' ILE . 0.0 OUTLIER -56.19 -45.99 79.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.67 179.849 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.706 ' CE1' HD13 ' C' ' 330' ' ' LEU . 10.2 t80 -61.47 -46.69 88.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.242 179.538 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.11 -33.49 62.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.599 179.729 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.7 ttm -66.46 -58.95 4.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.252 179.51 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.443 ' CD1' ' CD2' ' C' ' 341' ' ' PHE . 4.5 m-85 -60.39 -29.75 69.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.709 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.7 -36.29 78.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.949 0.405 . . . . 0.0 110.132 179.451 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -79.42 -31.96 42.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.122 179.314 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.649 ' O ' HD12 ' D' ' 348' ' ' LEU . 0.3 OUTLIER -73.88 -32.35 63.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.34 179.438 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -72.08 -45.22 61.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.637 179.757 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.27 -30.76 63.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.62 179.708 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.21 -28.14 53.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.894 179.722 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.733 HD13 ' CG ' ' C' ' 337' ' ' ARG . 2.0 mt -75.79 -36.94 59.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.789 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.51 -26.46 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.74 -42.48 61.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.046 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.586 ' NZ ' ' HB2' ' A' ' 347' ' ' ALA . 0.0 OUTLIER -68.63 -27.55 66.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.023 -179.938 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -72.82 -33.29 66.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.41 -31.05 48.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.083 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.997 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.85 0.357 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -123.63 150.74 43.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.32 110.88 23.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.776 HD13 ' CE1' ' B' ' 338' ' ' PHE . 29.7 tp -103.39 109.9 21.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -98.94 116.4 31.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -116.51 151.76 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -98.88 32.32 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.48 124.81 4.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 70.2 ttt-85 -74.65 -50.45 17.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.767 0.318 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -66.52 -41.41 88.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.493 ' HD2' HD11 ' B' ' 348' ' ' LEU . 5.3 mmt-85 -58.32 -50.11 74.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.795 179.906 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.401 ' CE1' HD13 ' B' ' 330' ' ' LEU . 7.1 t80 -56.24 -43.01 78.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.704 179.906 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -56.17 -39.17 71.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.354 . . . . 0.0 110.48 179.745 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.1 tmm? -66.61 -60.28 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.945 179.163 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.466 ' CE1' HD13 ' B' ' 344' ' ' LEU . 9.3 m-85 -60.71 -22.45 63.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.158 179.605 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -73.29 -34.86 65.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.077 0.465 . . . . 0.0 109.972 179.182 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -76.36 -30.5 57.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.135 179.193 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.795 HD21 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -69.83 -38.79 76.65 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.519 179.629 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.6 ' OD1' HG23 ' B' ' 332' ' ' ILE . 27.4 m-80 -68.48 -45.6 71.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.769 179.865 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.565 ' O ' HD12 ' A' ' 350' ' ' LEU . 52.6 mt-10 -70.84 -32.91 70.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.772 179.822 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.74 -33.52 58.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.801 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.85 HD13 ' HD2' ' B' ' 337' ' ' ARG . 0.4 OUTLIER -73.76 -28.45 61.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.65 179.833 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -70.03 -30.39 67.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.707 179.71 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 346' ' ' GLU . 0.8 OUTLIER -64.04 -42.72 96.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.801 179.896 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -59.94 -44.11 94.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -33.22 74.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.87 -31.15 68.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.99 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.837 0.351 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -139.89 107.36 5.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 2.4 m -72.22 148.25 45.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.401 HD13 ' CE1' ' A' ' 338' ' ' PHE . 18.2 tp -147.03 106.19 3.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.7 83.79 7.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.6 HG23 ' OD1' ' A' ' 345' ' ' ASN . 5.1 mt -81.74 137.75 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.063 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -100.44 74.88 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.32 118.0 0.51 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.531 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -61.68 -40.56 95.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -74.61 -41.13 60.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.85 ' HD2' HD13 ' A' ' 348' ' ' LEU . 1.1 tpp85 -59.43 -51.68 68.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.708 179.903 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.776 ' CE1' HD13 ' A' ' 330' ' ' LEU . 6.9 t80 -59.25 -43.02 92.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.353 179.578 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -56.07 -34.21 65.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.49 179.563 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 39.0 ttm -66.84 -61.34 2.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.046 179.328 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.441 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 5.3 m-85 -60.9 -27.88 68.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.679 179.458 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -68.67 -31.85 71.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.029 179.236 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -78.86 -31.35 45.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.307 179.369 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.815 HD21 ' HG ' ' C' ' 344' ' ' LEU . 1.2 mt -72.54 -34.62 67.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.644 179.674 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.42 ' HA ' HD12 ' B' ' 348' ' ' LEU . 60.2 t-20 -72.42 -43.79 63.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.65 179.781 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.448 ' O ' HD23 ' B' ' 350' ' ' LEU . 42.1 mt-10 -68.58 -31.37 70.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.764 179.766 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.594 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -71.1 -35.8 71.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.991 179.847 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.493 HD11 ' HD2' ' A' ' 337' ' ' ARG . 9.5 mt -68.89 -38.56 79.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.698 179.878 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -63.81 -30.0 71.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.448 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.2 mm? -72.79 -32.45 65.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.506 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 0.0 OUTLIER -67.7 -31.86 72.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.86 -36.63 84.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.39 -31.29 71.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.059 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.982 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.801 0.334 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -93.03 88.48 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.69 125.9 27.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.618 ' O ' HD12 ' C' ' 332' ' ' ILE . 23.8 tp -128.08 111.85 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -83.05 104.23 13.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.618 HD12 ' O ' ' C' ' 330' ' ' LEU . 3.7 mp -105.78 149.33 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -110.41 78.05 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.65 105.42 0.19 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -30.0 67.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 111.006 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.7 -63.95 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.58 ' HD3' HG21 ' C' ' 332' ' ' ILE . 5.1 ptp85 -54.88 -40.32 69.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -65.18 -38.82 91.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.27 179.648 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -58.66 -38.57 78.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.641 179.788 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttm -64.46 -55.76 18.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.47 179.603 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.407 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 3.0 m-85 -61.59 -31.48 71.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.728 179.796 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -67.28 -34.99 78.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.225 179.532 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -80.31 -31.06 38.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.271 179.375 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.835 ' O ' HD23 ' C' ' 348' ' ' LEU . 1.4 mt -77.01 -32.17 56.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.541 179.623 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -75.66 -38.9 58.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.719 179.849 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -73.88 -32.02 63.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.66 179.822 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.594 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -73.75 -32.44 63.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.843 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.835 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.6 mm? -72.37 -39.75 67.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.745 179.903 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -66.91 -29.14 68.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.5 mt -70.05 -43.31 71.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -68.16 -29.79 68.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -71.17 -31.59 67.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.8 -31.25 70.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.054 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.982 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.872 0.368 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -134.18 114.1 12.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 1.3 m -73.07 131.96 42.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.553 ' O ' HD12 ' D' ' 332' ' ' ILE . 16.4 tp -121.2 106.09 11.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -83.8 99.62 10.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.553 HD12 ' O ' ' D' ' 330' ' ' LEU . 3.7 mp -98.5 117.12 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 15.0 ttt-85 -98.25 36.01 1.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.447 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -144.03 125.85 2.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.45 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -65.22 -38.41 90.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.35 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -73.31 -51.89 15.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.6 ttm105 -56.1 -40.04 73.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.749 179.853 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -61.85 -48.47 80.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.439 179.668 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.97 -34.18 59.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.709 179.715 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 4.4 mtp -66.5 -58.64 4.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.362 179.443 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.407 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 3.0 m-85 -60.44 -29.19 68.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.698 179.573 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -67.8 -38.42 83.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.181 179.445 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -76.75 -32.59 57.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.304 179.38 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.795 HD21 HD21 ' A' ' 344' ' ' LEU . 0.3 OUTLIER -73.89 -29.98 62.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.496 179.595 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -73.46 -43.44 60.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.695 179.846 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -71.35 -31.2 67.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.726 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.05 -34.49 59.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.02 179.861 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.468 HD23 ' O ' ' D' ' 344' ' ' LEU . 2.4 mm? -72.65 -30.75 64.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.8 179.861 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.5 -29.8 66.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.805 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.15 -38.42 88.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -33.62 73.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -69.02 -39.1 79.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.27 -32.93 72.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.915 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.42 ' CE1' ' HG3' ' B' ' 333' ' ' ARG . 5.4 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.762 0.315 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.421 ' CZ ' ' HG3' ' B' ' 335' ' ' ARG . 48.4 m-85 -142.68 102.87 4.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 3.9 m -77.85 107.63 10.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.774 HD13 ' CE1' ' B' ' 338' ' ' PHE . 13.1 tp -100.32 108.37 20.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -95.71 121.37 37.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -118.62 152.73 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.405 ' CG ' ' CE2' ' B' ' 327' ' ' TYR . 0.8 OUTLIER -104.76 36.87 2.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.84 133.12 5.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -70.44 -61.9 1.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.31 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.79 -34.24 72.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.631 ' HD2' HD22 ' B' ' 348' ' ' LEU . 1.0 OUTLIER -60.32 -52.68 64.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.712 179.886 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.439 ' CZ ' HD13 ' B' ' 330' ' ' LEU . 9.4 t80 -58.78 -46.02 88.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.344 179.604 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -55.82 -32.73 63.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.448 179.534 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.542 ' O ' HD12 ' A' ' 344' ' ' LEU . 7.0 ttm -66.77 -60.65 2.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.167 179.338 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.447 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 5.1 m-85 -60.34 -28.83 68.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.619 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -34.03 74.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.947 0.403 . . . . 0.0 110.133 179.33 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.87 -31.99 51.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.293 179.342 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.882 HD21 HD21 ' D' ' 344' ' ' LEU . 1.4 mp -72.72 -36.38 67.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.512 179.598 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -69.85 -42.18 73.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.647 179.807 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -72.93 -38.32 66.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.624 179.716 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.27 -27.62 59.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.815 179.718 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 40.0 tp -76.52 -31.03 57.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.796 179.855 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -74.38 -31.61 62.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 mt -70.04 -32.52 70.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.901 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.412 ' HZ1' ' HB2' ' D' ' 347' ' ' ALA . 76.2 mttt -64.92 -32.41 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 179.897 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.32 -31.41 72.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.12 -43.98 60.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.405 ' CE2' ' CG ' ' A' ' 333' ' ' ARG . 12.6 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.827 0.346 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.421 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 5.0 m-85 -130.28 131.83 45.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.5 145.62 28.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.623 HD23 HD11 ' B' ' 332' ' ' ILE . 13.2 tp -137.6 88.03 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -66.1 83.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.623 HD11 HD23 ' B' ' 330' ' ' LEU . 4.7 mt -93.08 152.55 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.42 ' HG3' ' CE1' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -108.05 39.41 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.36 113.44 1.06 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.464 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.421 ' HG3' ' CZ ' ' A' ' 328' ' ' PHE . 1.7 ttt-85 -68.47 -37.09 79.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.721 0.296 . . . . 0.0 111.007 -179.92 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -68.95 -58.71 3.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.949 -179.9 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -55.04 -45.99 75.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 0.0 110.772 179.859 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.774 ' CE1' HD13 ' A' ' 330' ' ' LEU . 3.9 t80 -60.5 -39.65 88.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.423 179.56 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.74 -39.9 78.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.695 179.762 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.8 ttm -63.48 -55.55 23.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.429 179.562 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.424 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 3.1 m-85 -61.0 -33.47 73.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.777 179.707 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -66.04 -33.44 75.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.276 179.513 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -80.14 -32.02 38.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.327 179.412 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.699 HD22 ' CD2' ' C' ' 344' ' ' LEU . 68.4 mt -76.46 -32.21 58.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.558 179.623 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -74.45 -39.24 62.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.505 179.699 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -74.5 -38.63 62.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.544 179.691 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.74 -27.59 60.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.793 179.575 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.631 HD22 ' HD2' ' A' ' 337' ' ' ARG . 8.2 tp -75.36 -33.71 61.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.661 179.815 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.83 -29.06 65.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.808 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.65 -44.61 61.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.61 ' HD3' HD12 ' B' ' 348' ' ' LEU . 6.9 ptmt -66.77 -30.37 70.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.799 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -69.33 -31.32 69.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.6 -31.22 68.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.053 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.971 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -98.04 91.47 5.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.67 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -71.58 122.24 20.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.983 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.924 HD23 HD11 ' C' ' 332' ' ' ILE . 20.2 tp -108.98 116.05 31.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.612 ' CG ' HG23 ' D' ' 329' ' ' THR . 13.1 mt-30 -98.6 85.5 3.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.924 HD11 HD23 ' C' ' 330' ' ' LEU . 3.8 mp -85.3 142.6 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -98.63 33.51 2.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.34 121.21 3.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.445 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -60.26 -46.46 89.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.94 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.79 -47.7 44.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.574 ' HG3' HD13 ' D' ' 348' ' ' LEU . 3.1 ttm180 -56.78 -44.08 81.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.785 179.91 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.436 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 11.8 t80 -60.57 -47.41 86.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.49 179.645 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.62 -33.99 61.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.604 179.77 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -66.56 -58.63 4.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.329 179.502 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.477 ' CD2' ' CD1' ' D' ' 341' ' ' PHE . 2.5 m-85 -64.06 -29.35 70.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.797 179.693 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.404 ' HG3' ' CE1' ' C' ' 338' ' ' PHE . 2.3 tmt_? -73.6 -34.14 64.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.2 179.422 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -81.57 -31.93 32.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.266 179.334 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.699 ' CD2' HD22 ' B' ' 344' ' ' LEU . 11.2 mt -77.94 -29.44 49.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.565 179.52 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.561 ' OD1' HG23 ' D' ' 332' ' ' ILE . 52.1 t30 -77.61 -38.83 47.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.601 179.751 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -72.99 -31.12 64.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.755 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.585 ' HB2' ' HD2' ' B' ' 351' ' ' LYS . . . -75.62 -35.47 60.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.002 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.495 HD12 ' CG ' ' D' ' 337' ' ' ARG . 12.1 mt -72.36 -32.0 66.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.742 179.888 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.4 -31.61 70.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.754 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -71.43 -42.98 67.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.76 -31.24 72.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -67.61 -31.58 71.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.04 -31.22 69.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.966 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.848 0.356 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.436 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 7.4 m-85 -131.91 139.13 48.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.67 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -105.44 144.99 31.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 17.0 tp -149.33 102.19 3.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -66.05 84.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.628 HG21 ' HE2' ' D' ' 341' ' ' PHE . 4.6 mt -82.36 115.01 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -84.45 106.88 16.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 141.34 122.38 1.83 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -68.48 -30.67 69.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.05 -47.17 53.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.495 ' CG ' HD12 ' C' ' 348' ' ' LEU . 8.1 mtm180 -57.41 -43.16 83.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.712 179.923 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.474 ' CE2' HD13 ' C' ' 330' ' ' LEU . 12.3 t80 -60.59 -47.7 85.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.44 179.705 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -54.2 -34.1 59.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.603 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.7 ttm -66.39 -59.26 3.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.266 179.468 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.628 ' HE2' HG21 ' D' ' 332' ' ' ILE . 4.3 m-85 -60.45 -29.42 69.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.774 179.62 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.49 -34.95 76.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.987 0.422 . . . . 0.0 110.196 179.446 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.3 -31.04 38.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.219 179.299 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.882 HD21 HD21 ' A' ' 344' ' ' LEU . 1.6 mp -76.09 -32.54 59.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.473 179.572 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -75.53 -41.51 54.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.612 179.805 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -73.61 -29.89 62.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.719 179.774 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.412 ' HB2' ' HZ1' ' A' ' 351' ' ' LYS . . . -76.97 -31.75 56.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.996 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.639 HD12 ' O ' ' D' ' 344' ' ' LEU . 0.7 OUTLIER -76.74 -31.23 56.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.778 179.901 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -73.77 -29.86 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.777 179.794 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 7.3 mt -72.92 -42.0 63.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.501 ' HD3' HD23 ' D' ' 348' ' ' LEU . 2.3 ptmm? -67.16 -30.53 70.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.65 -31.32 70.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.68 -38.53 70.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.964 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.401 ' CZ ' ' HB3' ' B' ' 333' ' ' ARG . 17.2 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.811 0.339 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -105.16 127.89 53.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 2.7 m -93.53 152.89 18.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.643 HD13 ' CE1' ' B' ' 338' ' ' PHE . 12.2 tp -152.07 101.7 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -81.24 86.75 6.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.619 HD13 ' CD2' ' A' ' 341' ' ' PHE . 3.6 mt -82.32 149.68 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -107.41 86.03 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 162.84 118.5 0.46 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -31.29 72.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.311 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -75.33 -47.97 25.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -57.09 -45.13 83.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.639 179.876 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.434 ' CE1' ' HD2' ' A' ' 342' ' ' ARG . 11.9 t80 -60.84 -47.21 87.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.389 179.604 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.8 -34.15 62.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.689 179.666 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.49 ' O ' HD12 ' A' ' 344' ' ' LEU . 1.6 tpp -66.29 -58.01 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.317 179.541 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.619 ' CD2' HD13 ' A' ' 332' ' ' ILE . 3.4 m-85 -60.09 -30.44 69.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.759 179.66 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.434 ' HD2' ' CE1' ' A' ' 338' ' ' PHE . 10.6 ttt85 -66.66 -36.36 82.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.217 179.464 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -79.34 -31.68 43.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.287 179.388 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.805 ' O ' HD12 ' A' ' 348' ' ' LEU . 2.3 mp -76.56 -31.89 57.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.48 179.576 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.456 ' OD1' HG23 ' B' ' 332' ' ' ILE . 46.0 t30 -73.91 -39.71 63.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.655 179.701 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.583 ' O ' HD12 ' A' ' 350' ' ' LEU . 9.8 mt-10 -72.39 -37.13 68.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.663 179.836 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.506 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . . . -73.17 -30.92 63.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.855 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.848 HD13 ' HG2' ' B' ' 337' ' ' ARG . 0.3 OUTLIER -73.38 -33.54 65.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.76 179.886 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -68.45 -31.01 70.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.68 HD23 ' OE1' ' D' ' 354' ' ' GLN . 0.7 OUTLIER -65.63 -39.73 91.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.965 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -59.31 -32.11 69.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.975 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.22 -31.12 54.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -79.7 -31.4 41.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.865 0.364 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -155.69 115.55 3.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.92 138.66 46.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.408 HD13 ' CE2' ' A' ' 338' ' ' PHE . 11.2 tp -131.81 106.69 8.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -103.19 121.09 41.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.494 HD13 ' CE2' ' B' ' 341' ' ' PHE . 4.0 mt -125.24 150.64 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.097 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 327' ' ' TYR . 10.0 ptt180 -99.43 33.71 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.99 128.23 3.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.37 -32.2 66.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.26 -48.01 38.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.848 ' HG2' HD13 ' A' ' 348' ' ' LEU . 12.2 mtm180 -57.37 -44.07 84.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.704 179.867 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.643 ' CE1' HD13 ' A' ' 330' ' ' LEU . 10.9 t80 -60.24 -46.58 89.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.434 179.682 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -54.14 -35.49 62.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.695 179.701 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.483 ' O ' HD12 ' B' ' 344' ' ' LEU . 0.6 OUTLIER -66.29 -58.89 4.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.269 179.506 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.494 ' CE2' HD13 ' B' ' 332' ' ' ILE . 3.3 m-85 -60.88 -28.06 68.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.723 179.597 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -68.44 -33.75 74.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.269 179.432 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.47 -33.04 36.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.324 179.49 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.806 ' O ' HD23 ' B' ' 348' ' ' LEU . 3.6 mp -77.83 -30.58 51.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.523 179.605 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -76.69 -36.24 57.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.772 179.796 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -76.32 -30.37 57.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.85 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.12 -30.1 49.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.991 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.806 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.7 mm? -77.53 -34.76 53.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 179.929 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -74.65 -29.68 61.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 5.8 mt -73.64 -32.03 63.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -69.89 -31.58 69.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -70.33 -30.99 68.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.39 -40.19 85.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.947 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.808 0.337 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.437 ' N ' ' CD1' ' C' ' 328' ' ' PHE . 3.5 m-85 -127.16 101.5 6.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.457 HG23 ' HG3' ' D' ' 331' ' ' GLN . 0.2 OUTLIER -74.68 143.75 44.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.425 HD23 HD11 ' C' ' 332' ' ' ILE . 13.4 tp -151.76 110.26 3.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.513 ' HG3' HG23 ' D' ' 329' ' ' THR . 42.3 mt-30 -95.75 128.14 42.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.425 HD11 HD23 ' C' ' 330' ' ' LEU . 4.3 mt -127.07 151.8 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.75 35.57 2.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.01 124.84 4.09 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.444 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -75.85 -35.18 60.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.791 0.329 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -77.1 -42.23 38.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.611 ' HD2' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -59.67 -52.64 64.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.572 179.851 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -59.91 -42.29 93.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.117 179.512 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -55.91 -35.02 66.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.471 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.8 ttm -66.47 -61.02 2.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.074 179.35 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.486 ' CD1' ' CD2' ' D' ' 341' ' ' PHE . 6.6 m-85 -58.79 -26.35 63.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.825 179.498 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -37.09 81.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.891 0.377 . . . . 0.0 110.149 179.375 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.54 -32.48 53.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.403 179.422 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.819 ' O ' HD23 ' C' ' 348' ' ' LEU . 82.1 mt -75.59 -30.78 59.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.602 179.641 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -73.57 -40.06 64.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.662 179.764 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.435 ' O ' HD23 ' C' ' 350' ' ' LEU . 17.1 mt-10 -69.51 -36.3 76.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.758 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.71 -35.78 72.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.012 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.819 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.7 mm? -68.52 -34.7 76.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.756 179.884 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.87 -31.89 73.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.435 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.9 mm? -72.46 -36.72 68.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -67.44 -31.55 71.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -66.0 -32.05 73.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.22 -31.91 70.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.99 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.88 0.371 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -144.25 109.53 5.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.513 HG23 ' HG3' ' C' ' 331' ' ' GLN . 1.8 m -75.94 138.6 41.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 1.0 HD23 HD11 ' D' ' 332' ' ' ILE . 23.8 tp -132.57 117.21 17.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.457 ' HG3' HG23 ' C' ' 329' ' ' THR . 19.2 mp0 -99.42 84.02 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 1.0 HD11 HD23 ' D' ' 330' ' ' LEU . 3.9 mp -81.43 122.27 36.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 36.4 ptt85 -97.78 37.64 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.79 133.65 6.64 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -64.24 -66.15 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.775 0.322 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -59.68 -38.46 81.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.501 ' HG2' HG21 ' D' ' 332' ' ' ILE . 14.9 ttp-105 -59.26 -51.68 68.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.565 179.769 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -62.69 -47.64 82.76 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.23 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -55.77 -30.92 62.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.393 179.383 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 4.3 ttm -66.81 -59.67 3.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.306 179.45 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.486 ' CD2' ' CD1' ' C' ' 341' ' ' PHE . 2.5 m-85 -60.62 -30.02 69.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.709 179.585 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -39.68 80.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.342 179.499 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.35 -30.44 48.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.274 179.414 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.746 HD11 HD21 ' A' ' 344' ' ' LEU . 0.5 OUTLIER -77.74 -31.35 52.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.509 179.65 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -77.73 -40.25 41.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.574 179.728 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -76.35 -30.36 57.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.614 179.667 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.37 -31.23 42.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.763 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.661 HD12 ' O ' ' D' ' 344' ' ' LEU . 7.7 mt -76.8 -31.12 56.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.601 179.791 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -71.47 -30.35 65.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.816 179.771 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.61 -37.1 84.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 179.886 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.506 ' HE3' ' HB2' ' A' ' 347' ' ' ALA . 27.1 mttt -60.29 -35.29 75.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -68.1 -31.67 71.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.53 -41.59 65.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.68 ' OE1' HD23 ' A' ' 350' ' ' LEU . 1.4 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.858 0.361 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -156.94 149.0 22.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -141.27 96.2 2.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.424 ' CG2' HG22 ' B' ' 329' ' ' THR . 3.2 m -70.97 117.18 12.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.64 HD13 ' CE2' ' B' ' 338' ' ' PHE . 47.6 tp -112.4 102.23 10.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -73.19 113.72 10.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.478 HD11 ' CD2' ' A' ' 330' ' ' LEU . 23.5 mm -104.46 140.18 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.408 ' HG2' ' CE2' ' B' ' 327' ' ' TYR . 83.1 mtt180 -113.96 38.48 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.446 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -151.2 135.75 5.24 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.434 ' HD2' ' CZ ' ' B' ' 328' ' ' PHE . 4.6 tpt180 -75.82 -37.22 59.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -76.26 -52.0 10.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.421 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 6.7 ttm180 -56.15 -43.75 78.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.778 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.408 ' CE1' HD13 ' B' ' 330' ' ' LEU . 10.6 t80 -61.87 -46.43 89.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.38 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -55.2 -33.8 63.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.653 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.5 ttm -66.41 -58.62 4.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.326 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.421 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.7 m-85 -59.93 -29.48 68.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.782 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -35.09 79.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.172 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -79.7 -32.78 41.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.254 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.903 HD21 HD11 ' D' ' 344' ' ' LEU . 0.8 OUTLIER -75.25 -31.01 60.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.433 179.529 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -73.7 -42.23 61.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.68 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -71.25 -33.5 69.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.691 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.409 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -72.72 -31.22 64.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.822 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.2 mm? -71.86 -39.47 69.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -65.53 -31.43 72.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.9 -32.24 69.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.785 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -65.96 -31.5 72.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -62.72 -31.64 72.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.24 -31.25 67.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -89.18 -41.56 12.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -111.63 137.08 49.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.451 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.82 0.343 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.408 ' CE2' ' HG2' ' A' ' 333' ' ' ARG . 5.9 m-85 -133.31 147.71 51.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.434 ' CZ ' ' HD2' ' A' ' 335' ' ' ARG . 18.4 m-85 -142.94 93.48 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.424 HG22 ' CG2' ' A' ' 329' ' ' THR . 0.2 OUTLIER -63.41 117.68 7.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.803 HD23 HD11 ' B' ' 332' ' ' ILE . 9.4 tp -113.59 113.73 25.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -97.19 128.02 43.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.803 HD11 HD23 ' B' ' 330' ' ' LEU . 3.8 mp -135.71 145.74 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 -98.29 35.53 1.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.27 106.31 0.67 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -62.05 -31.97 72.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.34 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -74.4 -50.96 16.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.416 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 4.9 ttm180 -56.7 -41.53 77.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.748 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.64 ' CE2' HD13 ' A' ' 330' ' ' LEU . 11.7 t80 -61.9 -47.3 85.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.428 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -54.35 -35.06 62.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.645 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.5 ttm -65.36 -58.47 5.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.272 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.416 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 5.4 m-85 -58.47 -30.75 67.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.714 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -63.93 -37.92 89.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.163 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -76.84 -33.59 57.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.225 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.868 HD21 HD21 ' C' ' 344' ' ' LEU . 0.7 OUTLIER -72.61 -32.64 66.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.327 179.469 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -69.48 -45.05 69.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.667 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -70.94 -29.4 65.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.834 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.0 -29.22 55.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.739 HD13 ' HD3' ' B' ' 351' ' ' LYS . 1.6 mm? -75.77 -36.12 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -70.92 -29.45 65.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.781 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.02 -44.18 55.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.779 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.739 ' HD3' HD13 ' B' ' 348' ' ' LEU . 14.2 ptmm? -69.79 -30.32 67.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -73.85 -31.31 63.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.1 -34.6 73.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.067 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -77.19 -33.01 56.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -92.81 -169.82 2.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.541 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.813 0.339 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.405 ' O ' ' CD1' ' C' ' 328' ' ' PHE . 94.1 m-85 61.82 150.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' C' ' 327' ' ' TYR . 13.0 m-85 -138.38 107.98 6.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 6.0 m -76.65 129.87 36.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' C' ' 330' ' ' LEU . 15.4 tp -129.28 105.92 8.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -84.89 124.87 32.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.421 HG21 ' HB3' ' C' ' 337' ' ' ARG . 3.8 mp -116.52 117.87 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.428 ' HB3' ' CZ ' ' D' ' 327' ' ' TYR . 0.2 OUTLIER -68.99 -30.39 68.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -80.11 128.97 8.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.459 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 9.4 ttp85 -71.93 -36.62 69.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.766 0.317 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.15 -47.75 60.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.421 ' HB3' HG21 ' C' ' 332' ' ' ILE . 6.2 ttm180 -57.29 -42.1 81.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.772 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.44 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 12.8 t80 -60.89 -47.8 84.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.488 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -54.42 -34.85 62.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.782 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.8 ttm -66.05 -56.89 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.388 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -61.16 -31.21 70.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.632 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.402 ' HG3' ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -65.77 -33.03 74.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.203 179.426 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -75.95 -35.36 59.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.381 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.868 HD21 HD21 ' B' ' 344' ' ' LEU . 2.4 mp -72.66 -38.86 67.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.45 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.417 ' OD1' HG23 ' D' ' 332' ' ' ILE . 21.0 t30 -66.84 -36.24 81.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.497 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.72 -47.4 63.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.628 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.715 ' HB2' ' HD2' ' B' ' 351' ' ' LYS . . . -65.61 -28.87 69.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.654 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.888 HD22 ' HG2' ' D' ' 337' ' ' ARG . 7.1 tp -68.9 -39.91 79.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.755 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -66.98 -33.56 75.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.3 mp -66.55 -38.86 88.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.805 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -60.22 -36.05 76.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -62.31 -37.98 87.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.46 -31.0 70.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -113.08 29.38 8.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -161.98 80.13 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.494 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.814 0.34 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.428 ' CZ ' ' HB3' ' C' ' 333' ' ' ARG . 10.2 m-85 -82.12 152.96 26.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.44 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 30.2 m-85 -140.44 119.39 12.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.37 121.85 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 16.4 tp -124.44 107.42 11.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -80.68 125.04 29.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.417 HG23 ' OD1' ' C' ' 345' ' ' ASN . 4.7 mt -127.34 137.18 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.049 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 28.4 ttp85 -98.1 36.21 1.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.67 115.49 1.71 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.504 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -40.03 94.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.75 0.309 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.98 -47.7 24.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.888 ' HG2' HD22 ' C' ' 348' ' ' LEU . 2.0 tpt180 -57.35 -48.63 78.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.714 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -62.56 -45.21 93.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.081 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -56.18 -32.65 64.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.45 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.2 ttm -66.25 -60.25 2.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.184 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.551 ' HE2' HD22 ' C' ' 344' ' ' LEU . 6.6 m-85 -59.0 -29.88 67.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.804 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -37.53 85.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.094 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.15 -31.18 49.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.237 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.903 HD11 HD21 ' A' ' 344' ' ' LEU . 1.0 OUTLIER -74.41 -30.45 61.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.519 179.607 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -74.32 -44.07 54.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.684 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -71.67 -30.89 66.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.793 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.409 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -76.88 -31.46 56.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.057 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.469 HD23 ' O ' ' D' ' 344' ' ' LEU . 1.9 mm? -75.02 -31.9 61.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.764 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -71.83 -33.12 68.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 19.1 mt -69.78 -37.25 76.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -64.55 -31.31 72.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.53 -33.0 74.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.96 -31.16 71.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -93.4 -41.89 9.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.03 -170.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.492 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.791 0.329 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -129.47 153.12 48.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.417 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 13.2 m-85 -134.07 84.01 2.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.24 101.42 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.596 HD12 ' CE2' ' B' ' 338' ' ' PHE . 5.1 tt -101.73 124.34 47.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.592 ' HG3' HG22 ' B' ' 329' ' ' THR . 1.7 mp0 -105.91 136.17 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.559 HD11 HD22 ' A' ' 330' ' ' LEU . 3.7 mp -130.31 151.42 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -100.4 31.75 3.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -139.71 129.38 4.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.86 -34.59 69.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.758 0.314 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -75.22 -39.21 60.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.454 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 1.8 tpp180 -59.86 -52.21 66.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.683 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.492 ' CD1' HD12 ' B' ' 330' ' ' LEU . 7.6 t80 -59.78 -43.84 94.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.221 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -55.92 -34.79 65.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.553 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 4.7 ttp -65.64 -59.73 3.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.25 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.454 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 6.1 m-85 -59.06 -28.86 66.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.773 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -36.16 82.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.138 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -78.64 -31.53 46.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.396 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.628 ' O ' HD12 ' A' ' 348' ' ' LEU . 86.0 mt -77.36 -30.32 53.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.622 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -75.69 -37.94 59.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.713 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.27 -36.04 66.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.689 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.54 -31.85 67.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.797 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.8 OUTLIER -70.54 -41.62 72.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.571 179.699 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -72.62 -25.07 61.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.538 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.429 ' HA ' HD12 ' A' ' 350' ' ' LEU . 8.9 tp -74.07 -36.84 64.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.868 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -72.34 -29.29 63.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -72.15 -31.3 65.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.917 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.19 -31.67 72.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.06 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -94.99 -31.51 13.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . 60.67 111.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.35 -1.25 . . . . 0.0 112.488 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.794 0.33 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -97.28 152.63 18.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -148.14 142.23 26.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.592 HG22 ' HG3' ' A' ' 331' ' ' GLN . 0.7 OUTLIER -102.43 146.75 27.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.492 HD12 ' CD1' ' A' ' 338' ' ' PHE . 6.9 tt -143.02 94.84 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -61.02 121.67 13.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mt -121.79 112.3 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 11.8 ttt85 -96.8 39.19 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -142.06 129.97 4.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.448 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.94 -66.26 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.792 0.33 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.66 -38.01 80.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.827 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.474 ' HG2' ' CE2' ' B' ' 341' ' ' PHE . 29.2 ttm180 -60.4 -53.52 56.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.529 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.596 ' CE2' HD12 ' A' ' 330' ' ' LEU . 7.8 t80 -61.85 -44.26 97.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.987 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -57.63 -31.56 66.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.432 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.4 ttp -67.59 -59.34 3.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.327 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.474 ' CE2' ' HG2' ' B' ' 337' ' ' ARG . 1.8 m-85 -63.3 -28.24 69.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.702 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -37.58 65.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.386 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . 0.677 ' OE2' HD21 ' C' ' 348' ' ' LEU . 3.0 tm-20 -79.17 -32.15 44.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.277 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.764 HD11 HD21 ' C' ' 344' ' ' LEU . 0.5 OUTLIER -77.45 -30.55 53.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.52 179.62 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -76.11 -37.68 57.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.709 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -31.02 63.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.705 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.522 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -74.36 -35.37 63.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.062 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.741 HD23 ' O ' ' B' ' 344' ' ' LEU . 2.7 mm? -72.34 -35.14 68.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.747 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -69.44 -31.49 69.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.811 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mt -66.55 -35.72 80.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -36.42 77.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.47 -35.38 80.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.05 -39.61 72.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -69.72 -31.57 69.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -137.62 115.98 11.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.483 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . 0.424 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 2.3 mm-40 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.806 0.336 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.437 ' CE1' ' HG2' ' D' ' 333' ' ' ARG . 5.9 m-85 -103.24 141.75 35.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.424 ' CZ ' ' HB3' ' C' ' 326' ' ' GLU . 63.6 m-85 -138.58 115.52 10.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 7.8 m -71.08 124.67 24.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 54.3 tp -131.21 119.4 21.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -104.97 123.86 48.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.524 HG23 ' ND2' ' D' ' 345' ' ' ASN . 3.6 mp -120.78 131.65 72.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -88.12 76.15 8.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 176.42 119.98 0.6 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.442 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.7 ttt85 -67.35 -31.04 71.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -74.54 -51.61 14.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -56.46 -41.86 77.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.717 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -61.95 -47.01 86.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.377 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -54.75 -34.26 62.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.641 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.511 ' O ' HD12 ' C' ' 344' ' ' LEU . 6.1 mtm -66.43 -58.6 4.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.313 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -59.6 -29.12 67.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.746 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -37.86 85.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.145 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -78.49 -32.16 48.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.274 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.764 HD21 HD11 ' B' ' 344' ' ' LEU . 2.2 mp -75.36 -30.38 60.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.51 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.501 HD21 HD12 ' D' ' 332' ' ' ILE . 21.2 m-20 -73.99 -41.97 61.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.713 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.08 -31.45 62.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.709 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.495 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -78.64 -30.81 46.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.956 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.831 HD13 ' CG ' ' D' ' 337' ' ' ARG . 3.1 mt -77.57 -29.18 51.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.815 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -74.76 -31.13 61.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.809 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.3 mt -69.47 -34.91 75.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.522 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 9.2 mttm -63.59 -31.52 72.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -62.05 -31.97 72.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.13 72.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.07 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -68.38 -35.3 77.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -107.98 33.35 4.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.403 -1.22 . . . . 0.0 112.513 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.819 0.342 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -96.85 152.85 18.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -133.99 91.92 2.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.75 148.34 47.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 21.9 tp -160.43 98.65 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -67.48 102.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.501 HD12 HD21 ' C' ' 345' ' ' ASN . 27.3 mm -82.25 131.13 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.437 ' HG2' ' CE1' ' C' ' 327' ' ' TYR . 3.5 tmt_? -96.74 77.21 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 160.72 127.87 0.92 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -31.03 69.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.337 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -75.83 -51.84 11.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.831 ' CG ' HD13 ' C' ' 348' ' ' LEU . 7.4 mtm180 -56.64 -43.74 80.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.674 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -61.45 -45.83 92.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.403 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.25 -34.67 64.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.648 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.485 ' O ' HD12 ' D' ' 344' ' ' LEU . 21.9 ttm -66.44 -58.27 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.334 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -61.72 -29.53 70.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.664 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -68.26 -33.45 74.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.247 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -81.12 -32.91 33.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.287 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.815 ' O ' HD23 ' D' ' 348' ' ' LEU . 2.7 mp -77.67 -31.02 52.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.457 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.524 ' ND2' HG23 ' C' ' 332' ' ' ILE . 62.8 t-20 -75.68 -37.93 59.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.614 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.527 ' O ' HD12 ' D' ' 350' ' ' LEU . 21.7 mt-10 -72.27 -35.72 68.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.666 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.96 -33.93 70.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.815 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.6 mm? -70.03 -38.65 75.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.75 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -64.74 -31.03 72.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.527 HD12 ' O ' ' D' ' 346' ' ' GLU . 0.6 OUTLIER -65.04 -43.23 93.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -59.95 -37.41 79.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -70.56 -31.92 69.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.37 -31.31 62.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -72.32 -31.72 65.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -103.46 77.93 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.529 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.786 0.327 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' B' ' 333' ' ' ARG . 66.1 m-85 -147.87 118.11 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -107.39 105.16 14.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.17 149.3 49.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 18.4 tp -153.13 113.92 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -90.33 109.95 21.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -110.01 145.25 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -98.7 77.35 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 174.05 111.39 0.27 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 22.8 ptt-85 -61.49 -33.31 73.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.341 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -72.78 -42.75 63.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.75 ' HG3' HD23 ' B' ' 348' ' ' LEU . 7.0 ttm180 -58.61 -50.58 73.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.731 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.831 ' CE1' HD13 ' B' ' 330' ' ' LEU . 7.2 t80 -58.32 -43.26 88.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.378 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -54.81 -35.39 63.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.591 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.492 ' O ' HD12 ' A' ' 344' ' ' LEU . 9.3 mmm -66.32 -61.04 2.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.104 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -60.39 -27.28 67.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.716 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -33.41 74.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.978 0.418 . . . . 0.0 110.062 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.08 -31.44 34.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.24 179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.499 HD21 HD21 ' D' ' 344' ' ' LEU . 3.7 mp -76.61 -31.76 57.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.534 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -76.08 -40.65 52.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.672 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -73.87 -30.83 62.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.658 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.631 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -75.33 -31.18 60.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.576 HD13 ' CG ' ' B' ' 337' ' ' ARG . 8.6 mt -74.02 -38.41 64.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.754 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.04 -31.71 70.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.801 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 9.0 mt -67.43 -34.45 77.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.64 -33.9 74.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.798 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.02 -36.97 85.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.98 -31.32 69.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.093 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -112.17 29.19 8.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -150.88 165.63 33.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.091 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.424 -1.209 . . . . 0.0 112.488 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . 0.419 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 4.8 mm-40 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.826 0.346 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -71.18 118.11 13.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.419 ' CZ ' ' HB3' ' B' ' 326' ' ' GLU . 58.4 m-85 -107.24 110.55 22.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.59 152.96 42.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.831 HD13 ' CE1' ' A' ' 338' ' ' PHE . 61.6 tp -153.59 115.83 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.89 115.66 25.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.459 HD11 ' CD2' ' B' ' 330' ' ' LEU . 29.8 mm -101.05 115.2 42.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.433 ' HB3' ' CE2' ' A' ' 327' ' ' TYR . 4.6 ptm180 -86.47 69.34 10.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 164.53 121.92 0.58 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -28.37 67.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.722 0.296 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.12 -51.38 12.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.576 ' CG ' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -55.93 -46.02 78.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.687 179.831 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -60.79 -45.52 94.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.371 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -55.6 -35.2 65.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.676 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 5.0 ttp -67.64 -58.43 4.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.248 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -62.62 -25.98 68.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.7 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -71.91 -40.57 68.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.197 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -76.58 -30.67 57.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.316 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.778 ' O ' HD13 ' B' ' 348' ' ' LEU . 71.0 mt -76.63 -31.68 57.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.602 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -72.29 -39.22 68.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.509 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -69.09 -42.56 76.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.671 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.82 -26.23 62.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.778 HD13 ' O ' ' B' ' 344' ' ' LEU . 4.0 mp -74.93 -31.46 61.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.822 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -70.0 -31.0 68.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 10.1 mt -71.0 -45.6 63.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -31.28 71.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -70.39 -31.5 68.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.06 -31.3 61.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -91.62 -38.2 12.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -85.33 159.21 20.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.482 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . 0.442 ' HG3' ' CZ ' ' C' ' 328' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.813 0.339 . . . . 0.0 111.18 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -108.15 152.82 24.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.442 ' CZ ' ' HG3' ' C' ' 326' ' ' GLU . 47.6 m-85 -153.81 97.54 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.2 m -68.72 143.55 54.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 1.035 HD23 HD11 ' C' ' 332' ' ' ILE . 14.7 tp -143.33 115.07 8.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -94.13 84.15 4.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 1.035 HD11 HD23 ' C' ' 330' ' ' LEU . 3.8 mp -92.04 129.28 42.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.58 32.57 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.512 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -118.41 114.58 2.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -50.58 72.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.326 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -70.08 -41.49 74.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.807 ' CD ' HD13 ' D' ' 348' ' ' LEU . 1.5 tpp85 -59.31 -51.53 69.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.702 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.657 ' CE2' HD13 ' D' ' 330' ' ' LEU . 7.2 t80 -59.74 -43.3 94.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.268 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -55.78 -35.1 65.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.548 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.1 mmm -66.05 -60.13 3.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.162 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.456 ' CD2' ' CD1' ' D' ' 341' ' ' PHE . 5.4 m-85 -60.08 -27.81 67.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.694 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.6 ttp85 -67.63 -33.73 75.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.201 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -81.1 -31.61 34.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.339 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.765 ' O ' HD23 ' C' ' 348' ' ' LEU . 7.1 mt -78.48 -30.19 47.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.596 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -77.64 -36.97 50.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.677 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.452 ' O ' HD23 ' C' ' 350' ' ' LEU . 12.0 tt0 -75.16 -31.72 61.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.774 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.79 -31.91 57.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.765 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.7 mm? -75.53 -33.25 60.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.77 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -73.01 -33.24 65.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.452 HD23 ' O ' ' C' ' 346' ' ' GLU . 2.7 mm? -70.57 -31.6 68.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -67.13 -31.67 72.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.66 -31.37 72.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.51 -41.58 84.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.05 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -61.08 -32.12 71.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.32 121.37 40.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.546 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.833 0.349 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -84.9 103.1 13.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -88.07 97.72 11.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.53 140.28 46.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.657 HD13 ' CE2' ' C' ' 338' ' ' PHE . 10.6 tp -136.23 115.35 12.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -96.75 86.09 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.561 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.7 mp -76.74 137.18 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.29 34.35 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -144.14 140.18 9.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.466 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -74.1 -56.74 4.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -62.74 -35.91 81.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.478 ' HB3' HG21 ' D' ' 332' ' ' ILE . 0.0 OUTLIER -60.58 -53.34 58.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.602 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.755 ' CE2' HD13 ' C' ' 330' ' ' LEU . 8.3 t80 -61.1 -45.12 96.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.052 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -56.59 -32.45 65.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.343 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.5 ttp -66.61 -60.67 2.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.139 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.466 ' CE2' ' HG3' ' D' ' 337' ' ' ARG . 5.0 m-85 -59.39 -29.41 67.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.97 -39.6 83.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.134 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -76.55 -29.86 56.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.156 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.499 HD21 HD21 ' A' ' 344' ' ' LEU . 1.1 mp -74.54 -37.08 63.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.502 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -69.45 -39.23 77.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.786 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -75.74 -31.13 59.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.731 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.631 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -79.61 -31.63 41.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.807 HD13 ' CD ' ' C' ' 337' ' ' ARG . 1.5 mt -77.96 -28.1 49.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.769 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -75.65 -29.84 59.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.778 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 8.6 mt -72.11 -39.77 68.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.553 ' HD3' HD23 ' D' ' 348' ' ' LEU . 0.3 OUTLIER -70.45 -32.84 70.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.2 -31.63 67.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.24 -31.16 69.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -92.45 -31.29 15.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -111.68 84.98 2.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.474 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.78 0.324 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 63.15 140.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -150.03 114.61 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.18 152.89 31.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.512 ' HG ' HD11 ' A' ' 332' ' ' ILE . 6.8 tp -142.86 103.75 4.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.413 ' HB3' ' CD1' ' B' ' 327' ' ' TYR . 22.0 mt-30 -90.17 104.4 16.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.512 HD11 ' HG ' ' A' ' 330' ' ' LEU . 26.9 mm -107.55 103.83 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.425 ' HB2' ' CE1' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -64.14 -31.92 73.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -75.58 132.96 13.77 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -73.41 -40.95 63.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -71.36 -42.78 68.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.752 ' HG3' HD13 ' B' ' 348' ' ' LEU . 0.1 OUTLIER -57.73 -48.91 78.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.776 179.867 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.443 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 11.0 t80 -59.17 -46.23 88.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.415 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -54.81 -34.66 63.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.599 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.421 ' CE ' HD22 ' B' ' 344' ' ' LEU . 5.7 tmm? -65.9 -59.01 4.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.273 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.405 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 5.8 m-85 -58.19 -28.77 65.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.784 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -65.05 -40.0 94.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.059 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -76.37 -32.76 58.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.179 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.841 HD11 HD22 ' D' ' 344' ' ' LEU . 0.1 OUTLIER -72.27 -29.76 64.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.361 179.474 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.08 -47.75 49.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.635 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.482 ' O ' HD23 ' A' ' 350' ' ' LEU . 2.4 tp10 -69.86 -31.18 68.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.767 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.58 -31.39 57.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.067 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.786 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.1 mm? -74.05 -31.29 62.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.78 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -69.24 -32.11 71.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.789 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 346' ' ' GLU . 4.1 mm? -76.47 -32.79 58.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.803 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.544 ' HG3' HD22 ' D' ' 350' ' ' LEU . 2.0 ttpt -73.88 -31.36 63.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -71.07 -31.48 67.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.73 -31.15 70.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -95.89 -36.35 11.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.94 -55.93 27.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.41 -1.216 . . . . 0.0 112.469 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . 0.401 ' O ' ' CE1' ' B' ' 328' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.852 0.358 . . . . 0.0 111.154 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.425 ' CE1' ' HB2' ' A' ' 333' ' ' ARG . 13.8 m-85 -76.86 106.7 8.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.443 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 20.8 m-85 -98.79 96.88 8.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.3 149.42 33.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 7.4 tp -151.32 107.52 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -80.12 108.53 13.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.542 HG22 ' H ' ' B' ' 334' ' ' GLY . 3.7 mp -99.21 133.76 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.73 30.81 3.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.542 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -137.88 114.3 1.07 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -60.79 -35.7 77.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -74.58 -50.46 17.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.416 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 5.4 ttm180 -56.83 -42.74 80.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.773 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -61.48 -46.6 89.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.395 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -54.58 -34.7 62.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.727 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -65.76 -58.25 6.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.338 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.586 ' HE2' HD22 ' A' ' 344' ' ' LEU . 5.2 m-85 -60.03 -30.77 69.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.715 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -33.34 75.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.969 0.414 . . . . 0.0 110.168 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -81.97 -30.92 31.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.291 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.537 HD21 ' CG ' ' C' ' 344' ' ' LEU . 0.9 OUTLIER -78.81 -30.2 45.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.616 179.581 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -79.24 -37.67 37.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.578 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -77.17 -30.58 54.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.647 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.428 ' HB2' ' CE ' ' C' ' 351' ' ' LYS . . . -79.1 -30.84 44.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.752 HD13 ' HG3' ' A' ' 337' ' ' ARG . 9.2 mt -77.65 -32.04 53.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.706 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.46 -30.35 63.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.741 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.05 -34.31 75.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -63.13 -33.04 74.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.66 -31.52 69.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.13 -38.29 85.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.09 -32.81 74.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -83.99 121.59 27.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.323 -1.265 . . . . 0.0 112.493 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . 0.427 ' HG2' ' CZ ' ' C' ' 328' ' ' PHE . 1.1 tp10 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.791 0.329 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -134.72 113.41 11.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.427 ' CZ ' ' HG2' ' C' ' 326' ' ' GLU . 8.3 m-85 -101.24 111.32 23.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.2 m -76.33 114.05 14.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.698 HD13 ' CE1' ' D' ' 338' ' ' PHE . 18.5 tp -102.62 108.67 20.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -97.97 102.04 13.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.61 HD11 HD23 ' C' ' 330' ' ' LEU . 3.8 mp -102.6 139.48 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.4 34.22 2.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -138.28 119.96 1.9 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.439 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -60.32 -51.64 68.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.781 0.324 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -65.57 -34.89 79.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.878 ' HD2' HD13 ' D' ' 348' ' ' LEU . 0.8 OUTLIER -60.78 -53.1 61.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.76 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -57.86 -43.81 86.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.315 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -55.39 -34.63 64.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.52 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.555 ' O ' HD12 ' C' ' 344' ' ' LEU . 4.3 ttp -66.78 -61.08 2.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.088 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.456 ' CD2' ' CD2' ' D' ' 341' ' ' PHE . 5.9 m-85 -59.56 -26.51 65.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.698 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -67.47 -36.09 80.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.071 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -77.86 -33.0 52.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.242 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.555 HD12 ' O ' ' C' ' 340' ' ' MET . 3.5 mp -72.55 -31.24 65.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.411 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.96 -46.51 57.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.574 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -68.97 -33.57 73.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.779 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.11 -31.46 62.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.571 HD13 ' HB3' ' D' ' 337' ' ' ARG . 10.1 mt -71.92 -34.36 69.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.771 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.55 -31.25 71.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.853 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 8.8 mt -63.9 -36.41 83.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.428 ' CE ' ' HB2' ' B' ' 347' ' ' ALA . 53.8 mttt -65.68 -32.77 74.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -66.93 -32.68 74.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.31 -32.67 74.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -80.83 -47.32 14.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . 60.54 32.9 20.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.432 -1.205 . . . . 0.0 112.511 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . 0.401 ' O ' ' CE2' ' D' ' 328' ' ' PHE . 6.9 mp0 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.829 0.347 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -91.07 152.44 20.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.401 ' CE2' ' O ' ' D' ' 326' ' ' GLU . 31.8 m-85 -141.4 126.33 18.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 7.1 m -98.54 152.77 19.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 18.7 tp -151.47 106.18 3.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.19 83.6 3.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.558 HG22 ' H ' ' D' ' 334' ' ' GLY . 3.8 mt -78.84 127.13 39.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 18.0 ptt85 -98.4 32.85 2.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.558 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -140.46 111.12 0.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.413 ' HG3' ' CZ ' ' C' ' 328' ' ' PHE . 3.8 ttp180 -62.44 -31.05 71.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -60.38 2.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.571 ' HB3' HD13 ' C' ' 348' ' ' LEU . 5.7 ptp85 -56.34 -40.47 74.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.844 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.698 ' CE1' HD13 ' C' ' 330' ' ' LEU . 3.8 t80 -63.87 -39.37 94.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.243 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -57.65 -41.21 81.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.767 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.5 ttp -62.17 -54.39 41.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.418 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.456 ' CD2' ' CD2' ' C' ' 341' ' ' PHE . 2.8 m-85 -60.95 -36.41 79.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.807 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -37.34 86.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.221 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -79.01 -30.22 44.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.324 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.841 HD22 HD11 ' A' ' 344' ' ' LEU . 29.0 mt -78.43 -31.85 48.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.66 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -76.19 -35.31 59.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.71 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -75.68 -37.06 59.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.574 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.47 ' HB2' ' HD3' ' A' ' 351' ' ' LYS . . . -73.55 -33.3 64.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.611 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.878 HD13 ' HD2' ' C' ' 337' ' ' ARG . 0.6 OUTLIER -75.74 -41.53 53.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.344 179.572 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.55 -25.81 65.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.241 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.544 HD22 ' HG3' ' A' ' 351' ' ' LYS . 1.3 tp -66.03 -41.02 91.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.69 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -67.05 -42.93 83.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -68.15 -31.5 71.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.09 -33.46 70.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -87.79 -31.6 19.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -90.38 -170.51 2.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.552 -179.944 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 2.3 mt-10 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.775 0.321 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -105.79 153.07 22.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 326' ' ' GLU . 17.6 m-85 -151.66 92.09 1.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 3.1 m -62.14 130.92 47.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.475 HD21 ' ND2' ' B' ' 345' ' ' ASN . 33.1 tp -133.0 113.21 12.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.74 106.06 18.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.539 HG21 ' HB3' ' A' ' 337' ' ' ARG . 3.8 mp -97.32 119.89 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.51 -32.09 71.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -75.55 131.17 11.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.522 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -72.08 -40.07 68.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -70.78 -41.27 71.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.539 ' HB3' HG21 ' A' ' 332' ' ' ILE . 0.0 OUTLIER -58.76 -47.08 85.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.699 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.821 ' CE2' HD13 ' B' ' 330' ' ' LEU . 11.3 t80 -59.22 -46.98 87.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.503 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -54.73 -34.22 62.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.642 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.6 mtp -66.58 -58.61 4.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.308 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.481 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 3.5 m-85 -60.99 -28.99 69.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -69.63 -36.69 76.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.934 0.397 . . . . 0.0 110.23 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -79.92 -30.88 40.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.299 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.772 ' O ' HD23 ' A' ' 348' ' ' LEU . 40.4 mt -76.98 -29.21 55.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.64 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -76.81 -40.96 46.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.689 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.638 ' O ' HD23 ' A' ' 350' ' ' LEU . 16.2 tt0 -73.37 -30.32 63.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.752 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.417 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . . . -77.28 -32.3 55.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.772 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.7 mm? -75.82 -31.39 59.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.784 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.63 -33.31 62.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.638 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.9 mm? -75.44 -40.26 57.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.806 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.519 ' HE3' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -74.09 -28.68 61.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 179.832 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.9 -30.77 56.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.38 -30.2 64.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.074 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -68.97 -34.8 75.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -107.75 -67.45 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.088 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.543 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.84 0.352 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 60.29 97.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.43 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 10.7 m-85 -107.34 102.43 11.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.63 144.84 50.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.857 HD23 HD11 ' B' ' 332' ' ' ILE . 12.7 tp -144.84 98.82 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -69.33 88.53 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.857 HD11 HD23 ' B' ' 330' ' ' LEU . 27.7 mm -73.82 141.35 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.084 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -118.54 39.62 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.43 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -151.38 141.6 8.75 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -73.79 -60.37 2.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.751 0.31 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -60.75 -36.01 77.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.484 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -60.97 -54.16 48.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.583 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -61.14 -43.99 98.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.082 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -57.24 -32.22 66.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.358 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.594 ' HE1' HD13 ' A' ' 344' ' ' LEU . 4.5 tmm? -67.38 -60.76 2.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.177 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.484 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 5.2 m-85 -58.77 -27.0 64.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.7 179.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -66.39 -39.68 89.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.205 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -74.78 -33.05 62.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.963 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.993 HD11 HD21 ' C' ' 344' ' ' LEU . 3.8 mm? -72.96 -42.59 63.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.236 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.475 ' ND2' HD21 ' A' ' 330' ' ' LEU . 21.2 m-20 -66.33 -38.85 88.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.713 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -77.15 -30.38 54.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.696 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.87 -29.77 40.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.981 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 348' ' ' LEU . 38.3 mt -79.62 -30.45 41.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.84 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.14 -30.36 55.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.806 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.615 HD22 ' NE2' ' C' ' 354' ' ' GLN . 9.5 mt -73.23 -31.15 63.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.818 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -68.61 -31.46 70.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.82 -31.62 72.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.7 -34.06 71.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -81.02 -44.54 17.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -107.5 77.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.482 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 22.0 pm0 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.801 0.334 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.411 ' CE2' ' HG2' ' D' ' 333' ' ' ARG . 95.7 m-85 -154.84 152.21 29.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -154.55 132.5 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.538 HG23 ' HG2' ' D' ' 331' ' ' GLN . 0.6 OUTLIER -100.77 114.14 27.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.596 HD13 ' CE2' ' D' ' 338' ' ' PHE . 13.7 tp -105.25 97.25 7.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.663 ' HG3' HG23 ' D' ' 329' ' ' THR . 16.9 mp0 -77.34 115.74 17.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.544 HD11 ' CD2' ' C' ' 330' ' ' LEU . 28.2 mm -114.6 113.19 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.198 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -30.69 71.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -80.93 130.81 9.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -40.66 68.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -70.91 -41.9 70.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.505 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 4.8 tpp180 -57.73 -48.6 79.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.794 ' CE1' HD13 ' D' ' 330' ' ' LEU . 10.4 t80 -58.79 -46.67 87.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.397 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -54.67 -32.55 59.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.475 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.488 ' O ' HD12 ' C' ' 344' ' ' LEU . 3.5 tpp -67.14 -62.19 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.973 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.505 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 6.7 m-85 -60.34 -28.0 67.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.965 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -34.75 70.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.968 0.413 . . . . 0.0 110.155 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -80.51 -29.62 37.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.188 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.993 HD21 HD11 ' B' ' 344' ' ' LEU . 1.6 mp -75.74 -32.64 60.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.598 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.525 ' ND2' HG23 ' D' ' 332' ' ' ILE . 61.5 t30 -75.32 -42.15 55.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.662 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -75.51 -30.18 59.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.654 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.78 -29.97 40.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.756 HD23 ' HD3' ' C' ' 351' ' ' LYS . 8.0 mt -78.49 -29.86 46.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.76 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -75.32 -29.83 60.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 10.1 mt -74.17 -40.8 62.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.756 ' HD3' HD23 ' C' ' 348' ' ' LEU . 2.9 ptmm? -68.82 -30.61 69.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -69.4 -31.79 70.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.803 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.08 -30.91 70.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.615 ' NE2' HD22 ' B' ' 350' ' ' LEU . 3.4 mt-30 -69.63 -47.24 64.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.42 87.23 2.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.371 -1.239 . . . . 0.0 112.51 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.813 0.339 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 60.55 110.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -130.94 109.76 10.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.663 HG23 ' HG3' ' C' ' 331' ' ' GLN . 0.2 OUTLIER -74.26 142.41 45.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.83 HD23 HD11 ' D' ' 332' ' ' ILE . 13.5 tp -128.47 92.72 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.538 ' HG2' HG23 ' C' ' 329' ' ' THR . 24.0 mt-30 -72.69 84.05 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.83 HD11 HD23 ' D' ' 330' ' ' LEU . 4.4 mt -88.42 142.1 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.411 ' HG2' ' CE2' ' C' ' 327' ' ' TYR . 43.4 mtp180 -98.85 35.64 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -137.25 115.35 1.23 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.29 -50.83 72.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.828 0.347 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -65.8 -35.02 79.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.519 ' HD2' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -60.29 -52.78 63.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.728 179.863 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.596 ' CE2' HD13 ' C' ' 330' ' ' LEU . 8.7 t80 -58.5 -45.27 89.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.34 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -55.27 -33.76 63.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.492 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.6 ttp -66.5 -60.73 2.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.158 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.452 ' CE1' ' HG3' ' D' ' 337' ' ' ARG . 6.2 m-85 -59.59 -27.99 66.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.771 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -67.75 -34.08 76.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.917 0.389 . . . . 0.0 110.169 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -80.21 -30.4 38.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.352 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.656 ' O ' HD12 ' D' ' 348' ' ' LEU . 1.1 tp -76.26 -30.78 57.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.664 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -76.13 -41.68 49.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.652 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -74.31 -31.54 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.708 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.69 -30.67 46.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.656 HD12 ' O ' ' D' ' 344' ' ' LEU . 5.7 mt -77.12 -29.2 54.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.76 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -73.66 -30.81 63.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.755 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 mt -74.17 -45.21 50.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.764 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 347' ' ' ALA . 0.0 OUTLIER -70.52 -28.82 65.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.767 179.818 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -74.58 -30.49 61.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.807 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.48 -31.05 69.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -84.63 -44.14 13.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -63.54 162.3 13.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.508 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.794 0.33 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -82.63 152.96 25.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -139.94 94.55 2.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.75 124.92 25.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 16.0 tp -115.24 107.66 15.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -76.33 96.7 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.626 HG21 ' HG2' ' A' ' 337' ' ' ARG . 4.6 mt -100.63 137.43 28.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -97.42 38.65 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -137.27 117.84 1.6 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.43 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -48.51 81.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.961 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -69.98 -40.41 75.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.714 ' HD3' HD13 ' B' ' 348' ' ' LEU . 2.6 ttp-105 -59.97 -52.71 64.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.635 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.408 ' CD2' ' HB2' ' B' ' 330' ' ' LEU . 7.2 t80 -62.67 -43.73 98.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.973 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -57.47 -32.02 66.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.306 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.52 ' O ' HD12 ' A' ' 344' ' ' LEU . 10.7 ttm -66.79 -60.67 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.177 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.459 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 5.0 m-85 -60.23 -28.7 68.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.743 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -35.69 78.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.981 0.42 . . . . 0.0 110.175 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -79.87 -31.51 40.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.195 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.787 HD21 HD21 ' D' ' 344' ' ' LEU . 2.1 mp -75.43 -30.84 60.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.497 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -74.78 -42.64 57.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.727 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.679 ' O ' HD23 ' A' ' 350' ' ' LEU . 3.6 tp10 -73.33 -31.91 64.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.696 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -76.84 -30.28 56.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.963 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 344' ' ' LEU . 15.1 mt -75.6 -33.0 60.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -72.24 -32.89 67.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.7 mm? -69.94 -36.84 75.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -64.8 -33.55 76.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -32.4 73.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.13 -31.14 55.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -78.27 -31.47 49.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -76.46 116.16 16.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.487 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.824 0.345 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 62.55 118.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -131.23 102.07 5.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 3.0 m -64.27 119.5 10.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.449 HD23 HD11 ' B' ' 332' ' ' ILE . 24.9 tp -107.29 98.78 8.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -69.94 84.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.449 HD11 HD23 ' B' ' 330' ' ' LEU . 4.5 mt -81.02 153.19 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.66 99.19 5.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 140.66 141.46 4.01 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.6 -36.87 68.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.33 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -77.03 -43.28 35.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.444 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 3.8 ttp180 -59.45 -52.49 65.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -62.75 -42.65 99.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.968 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -57.91 -32.36 67.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.368 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttm -67.33 -60.64 2.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.172 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.445 ' CD1' ' CD2' ' A' ' 341' ' ' PHE . 4.6 m-85 -59.97 -26.92 66.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.758 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.92 -36.93 81.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.173 179.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -76.48 -34.91 58.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.336 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.735 HD22 HD22 ' C' ' 344' ' ' LEU . 26.8 mt -72.38 -29.78 64.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.488 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -72.38 -44.55 62.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.722 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -70.26 -31.21 68.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.768 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.83 -34.15 60.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.714 HD13 ' HD3' ' A' ' 337' ' ' ARG . 1.5 mt -72.84 -30.52 64.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -70.93 -29.33 65.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 mt -69.97 -44.43 69.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -62.54 -29.52 70.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -66.98 -39.93 87.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.65 -31.4 63.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -79.82 -31.5 40.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.78 96.38 10.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.518 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . 0.415 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 3.6 mt-10 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.814 0.34 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -103.87 147.48 27.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.415 ' CZ ' ' HB3' ' C' ' 326' ' ' GLU . 20.7 m-85 -144.35 123.39 12.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.404 HG22 ' HG3' ' D' ' 331' ' ' GLN . 0.2 OUTLIER -94.35 94.35 8.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 21.1 tp -95.21 119.24 33.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -101.12 126.53 47.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -131.43 153.67 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -98.21 31.11 2.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -123.33 105.13 0.89 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.481 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -58.8 -43.6 90.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.763 0.316 . . . . 0.0 110.982 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -72.28 -38.34 68.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.532 ' CG ' HD13 ' D' ' 348' ' ' LEU . 5.7 ttm180 -60.57 -48.64 80.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.661 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.777 ' CE2' HD13 ' D' ' 330' ' ' LEU . 10.7 t80 -59.23 -46.35 88.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.448 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -55.31 -33.7 63.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.672 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.8 ttp -66.97 -58.51 4.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.319 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.419 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.9 m-85 -60.31 -29.05 68.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.685 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -66.95 -35.33 79.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.171 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -78.61 -32.43 47.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.372 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.735 HD22 HD22 ' B' ' 344' ' ' LEU . 20.4 mt -74.54 -30.03 61.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.596 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -74.33 -43.55 56.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.647 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.73 -31.8 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.693 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.12 -26.85 48.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.745 HD13 ' HD3' ' C' ' 351' ' ' LYS . 1.4 mm? -78.61 -28.03 45.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -76.98 -34.61 57.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.201 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.857 HD12 ' N ' ' C' ' 351' ' ' LYS . 4.3 pp -76.26 -32.56 58.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.126 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.857 ' N ' HD12 ' C' ' 350' ' ' LEU . 10.9 ptmt -78.1 -28.88 48.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.792 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -75.58 -30.07 59.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.05 -31.3 67.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -75.95 -45.98 32.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -91.97 -175.89 4.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.089 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.468 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.79 0.329 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 61.15 112.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -120.11 115.26 23.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 23.3 m -68.78 138.27 54.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.777 HD13 ' CE2' ' C' ' 338' ' ' PHE . 41.4 tp -130.71 108.77 10.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.404 ' HG3' HG22 ' C' ' 329' ' ' THR . 21.2 mt-30 -87.36 111.42 21.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.545 HD11 ' CD2' ' D' ' 330' ' ' LEU . 23.3 mm -104.01 132.43 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.135 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -100.89 35.67 2.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.436 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -152.65 135.36 4.89 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.473 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -76.21 -44.94 35.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.336 . . . . 0.0 111.011 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -63.76 -55.32 24.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.412 ' HG3' HG21 ' D' ' 332' ' ' ILE . 15.8 ptp180 -55.76 -46.64 77.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.777 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -59.55 -40.03 85.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.367 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.94 -41.22 77.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.741 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.569 ' O ' HD12 ' D' ' 344' ' ' LEU . 2.2 mpp? -62.57 -54.91 32.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.396 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.451 ' HE1' HD13 ' C' ' 344' ' ' LEU . 3.4 m-85 -58.92 -33.73 70.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.777 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -62.95 -38.68 92.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.216 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -77.8 -31.19 51.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.213 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.787 HD21 HD21 ' A' ' 344' ' ' LEU . 1.2 mp -74.2 -31.52 62.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.51 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -73.16 -43.87 60.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.76 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -72.94 -30.04 63.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.804 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -79.59 -30.7 41.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.734 HD12 ' O ' ' D' ' 344' ' ' LEU . 1.2 mt -79.28 -25.93 42.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -81.34 -34.15 32.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.711 HD12 ' N ' ' D' ' 351' ' ' LYS . 4.5 pp -79.41 -29.06 41.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.942 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.711 ' N ' HD12 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -81.21 -28.58 34.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.766 179.767 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -78.25 -30.34 48.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.52 -30.92 61.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.038 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -72.03 -35.76 69.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.66 140.35 38.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.36 -1.245 . . . . 0.0 112.485 -180.0 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.843 0.354 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -141.53 152.56 44.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -148.65 92.5 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 3.9 m -71.24 152.85 42.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.787 HD23 HD11 ' A' ' 332' ' ' ILE . 13.5 tp -150.57 101.44 2.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -77.23 88.22 3.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.787 HD11 HD23 ' A' ' 330' ' ' LEU . 4.9 mt -92.62 130.68 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.03 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -97.79 74.88 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.7 122.99 0.87 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.521 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -69.19 -31.54 70.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -75.99 -52.17 10.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.768 ' CG ' HD13 ' B' ' 348' ' ' LEU . 4.8 mtm180 -56.43 -43.47 79.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.65 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -61.56 -46.14 91.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.394 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -55.22 -34.66 64.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.677 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.4 ttm -66.55 -58.17 5.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.398 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.427 ' CD2' ' CD2' ' B' ' 341' ' ' PHE . 2.5 m-85 -62.74 -29.43 70.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.723 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -70.92 -36.77 72.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.213 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -79.01 -31.3 44.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.319 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.924 HD11 HD11 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -76.72 -32.08 57.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.516 179.587 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -74.27 -38.61 63.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.799 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -75.48 -32.32 60.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.698 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -78.28 -30.58 48.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.958 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.843 HD13 ' HD3' ' B' ' 337' ' ' ARG . 4.5 mt -77.76 -29.99 51.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -75.69 -30.82 59.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.5 mt -72.38 -32.31 66.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -67.83 -35.31 78.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -64.85 -40.34 95.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.49 -31.49 71.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -62.85 -33.07 74.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -82.52 156.98 23.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.478 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.8 0.333 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 60.33 96.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -104.03 106.2 16.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.4 m -74.97 107.83 7.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.6 HD23 HD11 ' B' ' 332' ' ' ILE . 38.8 tp -102.69 119.04 38.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -99.35 103.59 15.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.6 HD11 HD23 ' B' ' 330' ' ' LEU . 3.9 mp -104.62 145.53 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.095 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.88 38.1 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.24 135.81 8.31 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -73.49 -64.37 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -59.54 -35.67 74.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.843 ' HD3' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -60.34 -52.69 64.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.716 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.668 ' CE1' HD13 ' A' ' 330' ' ' LEU . 8.5 t80 -59.25 -45.03 92.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.232 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -55.87 -32.55 63.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.432 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.6 ttp -67.49 -61.52 1.86 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.088 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.476 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 5.0 m-85 -60.24 -26.59 66.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.76 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.43 -36.17 76.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.205 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.01 -31.79 44.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.339 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.947 HD21 HD21 ' C' ' 344' ' ' LEU . 7.3 mt -76.46 -29.89 57.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.602 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.66 ' OD1' HG23 ' A' ' 332' ' ' ILE . 17.6 t30 -75.74 -39.87 56.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.744 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -73.97 -33.7 63.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.725 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.08 -31.63 56.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.768 HD13 ' CG ' ' A' ' 337' ' ' ARG . 4.4 mt -75.61 -29.69 59.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.697 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -71.88 -30.28 65.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.791 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 14.0 mt -66.86 -37.2 84.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -64.36 -31.89 73.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -73.67 -32.54 64.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.98 -33.03 67.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -71.06 -38.02 72.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -108.38 -176.67 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.491 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.811 0.338 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -98.03 153.27 18.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.428 ' HB3' ' CD2' ' D' ' 338' ' ' PHE . 20.5 m-85 -142.55 112.57 7.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.55 125.05 48.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.507 ' O ' HD12 ' C' ' 332' ' ' ILE . 5.2 tp -123.08 119.78 31.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -84.3 96.75 9.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.507 HD12 ' O ' ' C' ' 330' ' ' LEU . 3.6 mp -93.52 113.29 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -30.19 66.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -79.52 123.2 6.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 1.5 ptp85 -70.42 -31.36 68.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.955 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -68.89 -55.35 11.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.4 ttm105 -55.92 -38.38 70.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.695 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.434 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 11.7 t80 -63.26 -47.17 83.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.395 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -54.2 -35.56 62.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.634 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.33 -58.59 5.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.275 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.431 ' CD2' ' CD2' ' D' ' 341' ' ' PHE . 3.4 m-85 -61.27 -30.41 70.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.832 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 23.8 ttp85 -69.9 -35.99 75.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.989 0.423 . . . . 0.0 110.221 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -79.93 -29.88 39.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.324 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.947 HD21 HD21 ' B' ' 344' ' ' LEU . 0.1 OUTLIER -77.53 -30.27 52.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.63 179.703 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -77.28 -39.06 49.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.725 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -30.49 61.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.792 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.77 -32.67 52.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.006 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.57 HD23 ' HD3' ' C' ' 351' ' ' LYS . 51.1 mt -75.69 -31.27 59.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.732 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -72.68 -29.63 63.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.804 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -70.14 -40.19 74.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.57 ' HD3' HD23 ' C' ' 348' ' ' LEU . 1.5 ptmm? -71.6 -34.92 70.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.93 -30.65 62.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.84 -34.82 62.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -83.01 -31.62 27.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -93.33 77.09 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.472 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.818 0.342 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 61.69 152.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.434 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 35.6 m-85 -154.87 94.11 1.62 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 6.3 m -61.13 114.85 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.859 HD23 HD11 ' D' ' 332' ' ' ILE . 8.9 tp -107.44 119.21 38.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -104.11 125.18 50.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.859 HD11 HD23 ' D' ' 330' ' ' LEU . 3.8 mp -128.5 136.48 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -99.57 34.21 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.425 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -133.01 142.08 13.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.535 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -75.02 -64.3 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -58.81 -35.16 72.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.727 ' HG2' HG21 ' D' ' 332' ' ' ILE . 2.2 ttp-105 -60.88 -54.03 50.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.6 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.428 ' CD2' ' HB3' ' C' ' 328' ' ' PHE . 8.0 t80 -60.79 -44.86 96.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.035 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.68 -30.52 63.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.641 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -59.08 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.162 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.464 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.0 m-85 -61.09 -29.86 70.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.091 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -31.97 69.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.924 0.392 . . . . 0.0 110.186 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -80.69 -33.6 35.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.215 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.924 HD11 HD11 ' A' ' 344' ' ' LEU . 0.1 OUTLIER -71.95 -32.23 67.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.348 179.433 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.13 -48.1 46.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.477 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.24 -31.16 69.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.81 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -75.75 -31.37 59.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.011 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.79 HD23 ' O ' ' D' ' 344' ' ' LEU . 2.8 mm? -72.78 -33.98 66.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.694 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.25 -31.44 71.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -69.59 -32.82 71.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -64.72 -31.84 73.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -62.0 -31.95 72.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.06 -31.08 69.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.072 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -67.75 -42.59 81.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.77 174.56 7.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.517 -179.942 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.836 0.351 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 60.46 106.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.427 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 21.4 m-85 -115.53 116.8 28.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.489 HG23 ' HG3' ' B' ' 331' ' ' GLN . 1.8 m -78.83 127.09 31.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.633 HD23 HD11 ' A' ' 332' ' ' ILE . 18.2 tp -118.91 91.36 3.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.02 97.33 5.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.633 HD11 HD23 ' A' ' 330' ' ' LEU . 4.6 mt -106.46 137.2 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.62 30.97 4.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.601 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -121.42 127.99 7.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.466 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.8 ttp85 -66.59 -65.19 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.68 -36.37 76.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.496 ' HG3' ' CE2' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -59.84 -51.79 68.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.735 179.805 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -59.79 -46.45 89.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.22 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.74 -31.33 62.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.359 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -67.23 -61.52 1.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.101 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.496 ' CE2' ' HG3' ' A' ' 337' ' ' ARG . 7.0 m-85 -58.63 -28.04 65.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -35.31 78.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.961 0.41 . . . . 0.0 110.232 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -80.1 -29.94 39.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.315 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.715 HD21 ' HG ' ' D' ' 344' ' ' LEU . 0.3 OUTLIER -77.17 -30.9 55.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.597 179.684 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -76.76 -39.58 51.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.791 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -75.11 -30.34 60.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.743 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.7 -32.26 46.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.012 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.779 HD23 ' HD3' ' A' ' 351' ' ' LYS . 3.0 mt -77.12 -29.54 54.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.746 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -74.63 -29.93 61.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.6 mt -72.3 -40.49 67.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.779 ' HD3' HD23 ' A' ' 348' ' ' LEU . 0.4 OUTLIER -70.46 -31.36 68.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -72.4 -31.65 65.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.11 -31.55 66.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -69.0 -33.41 73.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -100.21 78.22 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.491 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.84 0.352 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 60.32 96.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.412 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 5.7 m-85 -107.71 100.44 9.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.8 m -82.04 139.84 34.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' B' ' 330' ' ' LEU . 13.8 tp -137.59 119.04 14.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.489 ' HG3' HG23 ' A' ' 329' ' ' THR . 31.0 mt-30 -102.69 90.09 3.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.44 ' H ' HD12 ' B' ' 332' ' ' ILE . 3.8 mp -90.09 142.34 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -98.48 32.84 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -120.51 116.07 3.11 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.469 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 23.1 ttp85 -60.25 -52.64 64.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -69.59 -42.53 74.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.594 ' CG ' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -57.66 -45.93 84.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.775 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 12.7 t80 -59.42 -48.07 83.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.496 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -54.73 -33.37 61.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.694 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.0 mtm -67.05 -57.96 5.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.391 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.417 ' CD2' ' CD1' ' A' ' 341' ' ' PHE . 2.5 m-85 -62.16 -29.8 70.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.74 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -70.38 -36.85 74.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.236 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -78.85 -31.15 45.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.332 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.794 ' O ' HD23 ' B' ' 348' ' ' LEU . 0.7 OUTLIER -76.12 -30.56 58.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.575 179.607 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -75.23 -40.75 58.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.768 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -71.72 -31.4 66.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.517 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -75.29 -34.9 61.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.015 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.794 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.7 mm? -72.39 -32.12 66.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.738 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -69.95 -30.1 67.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -42.9 79.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.542 ' CE ' ' HB2' ' C' ' 347' ' ' ALA . 0.1 OUTLIER -60.17 -31.15 69.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -61.98 -36.93 82.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.0 -31.34 72.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.094 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -85.45 -49.75 7.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -99.44 122.33 42.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.351 -1.25 . . . . 0.0 112.503 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.815 0.341 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.411 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 8.0 m-85 63.21 139.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -153.06 114.32 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.57 143.02 50.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.468 HD21 HD11 ' C' ' 332' ' ' ILE . 15.9 tp -140.95 102.06 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.711 ' HG3' HG23 ' D' ' 329' ' ' THR . 6.6 mt-30 -102.69 95.98 6.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.468 HD11 HD21 ' C' ' 330' ' ' LEU . 23.5 mt -106.64 152.96 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -105.21 36.32 2.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -125.11 112.39 1.71 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.437 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -64.19 -42.4 96.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -73.0 -46.58 51.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -57.2 -43.14 82.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.703 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.595 ' CE1' HD13 ' D' ' 330' ' ' LEU . 13.0 t80 -61.1 -48.86 79.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.419 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -54.27 -33.24 58.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.647 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.2 ttm -66.77 -58.02 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.346 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.432 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 3.4 m-85 -60.13 -30.56 69.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.693 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.38 -38.26 87.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.191 179.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -78.14 -32.16 50.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.267 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.688 HD22 HD11 ' B' ' 344' ' ' LEU . 61.5 mt -74.84 -29.78 61.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.458 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -73.82 -43.76 57.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.58 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.565 ' O ' HD23 ' C' ' 350' ' ' LEU . 4.4 tt0 -69.45 -34.64 74.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.709 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.542 ' HB2' ' CE ' ' B' ' 351' ' ' LYS . . . -71.09 -33.43 70.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.519 HD23 ' O ' ' C' ' 344' ' ' LEU . 1.7 mm? -68.9 -39.19 79.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.669 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -61.98 -31.79 72.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.773 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.565 HD23 ' O ' ' C' ' 346' ' ' GLU . 4.0 mm? -68.86 -52.64 27.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.732 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -29.68 69.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -76.03 -30.85 58.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.31 -31.06 65.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -76.75 -40.88 46.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.26 -179.84 2.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.318 -1.268 . . . . 0.0 112.494 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . 0.425 ' HG2' ' CZ ' ' D' ' 328' ' ' PHE . 42.1 tt0 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.821 0.343 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -121.32 151.75 39.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.425 ' CZ ' ' HG2' ' D' ' 326' ' ' GLU . 25.1 m-85 -132.15 108.81 9.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.711 HG23 ' HG3' ' C' ' 331' ' ' GLN . 0.2 OUTLIER -77.49 126.38 30.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.77 HD23 HD11 ' D' ' 332' ' ' ILE . 14.6 tp -131.96 112.34 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -87.98 93.65 9.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.77 HD11 HD23 ' D' ' 330' ' ' LEU . 27.4 mm -79.31 134.09 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.411 ' HG3' ' CE2' ' C' ' 327' ' ' TYR . 9.6 ttp180 -98.67 30.8 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.539 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -132.42 127.22 4.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.431 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.9 ptt-85 -70.28 -47.69 60.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.788 0.328 . . . . 0.0 110.928 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -39.39 61.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.0 mtm105 -62.0 -44.71 96.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.9 0.381 . . . . 0.0 110.548 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.422 ' CE2' HD13 ' C' ' 330' ' ' LEU . 12.4 t80 -61.31 -48.07 83.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.31 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -54.94 -32.48 61.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.564 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.526 ' O ' HD12 ' D' ' 344' ' ' LEU . 0.3 OUTLIER -67.13 -59.03 3.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.252 179.474 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.432 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 3.6 m-85 -60.21 -29.68 68.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.742 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -67.47 -37.82 83.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.138 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -78.66 -32.04 47.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.203 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.715 ' HG ' HD21 ' A' ' 344' ' ' LEU . 1.5 mp -75.31 -30.47 60.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.474 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -73.68 -42.59 61.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.671 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.716 ' O ' HD23 ' D' ' 350' ' ' LEU . 5.0 mm-40 -72.34 -32.4 66.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.66 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.12 -30.75 62.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.913 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.446 HD23 ' O ' ' D' ' 344' ' ' LEU . 1.4 mm? -72.74 -39.07 67.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.684 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -68.95 -34.54 75.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.716 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.7 mm? -67.04 -31.54 72.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.84 -32.38 73.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.803 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.69 -31.71 70.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.5 -31.68 71.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -117.2 30.63 7.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.26 82.42 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.467 -179.929 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.758 0.313 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.408 ' CE1' ' HB3' ' B' ' 333' ' ' ARG . 0.2 OUTLIER -140.23 146.09 38.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -144.62 92.95 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.481 HG23 ' HG3' ' B' ' 331' ' ' GLN . 0.2 OUTLIER -80.23 128.7 33.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.544 HD22 ' CD2' ' B' ' 338' ' ' PHE . 0.6 OUTLIER -132.37 115.77 16.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.857 ' HG3' HG23 ' B' ' 329' ' ' THR . 2.9 mt-30 -85.91 99.51 11.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -89.59 147.0 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.06 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.415 ' HG2' ' CD1' ' B' ' 327' ' ' TYR . 18.0 mtm180 -103.51 35.88 2.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.44 138.3 10.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.513 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 7.9 ttt-85 -75.48 -64.49 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -59.62 -36.61 76.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.567 ' HD3' HD13 ' B' ' 348' ' ' LEU . 22.8 ttp180 -60.39 -53.37 58.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.589 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.605 ' CE2' HD13 ' B' ' 330' ' ' LEU . 8.1 t80 -61.47 -45.25 95.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.047 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.0 -31.39 65.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.439 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.59 -59.43 3.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.303 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.483 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 2.1 m-85 -61.75 -28.06 69.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.682 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 15.6 ttp85 -70.41 -38.52 74.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.345 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -78.33 -32.13 49.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.379 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.621 ' CD2' HD22 ' D' ' 344' ' ' LEU . 7.9 mt -77.61 -28.69 51.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.567 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -76.6 -37.76 55.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.707 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.748 ' O ' HD23 ' A' ' 350' ' ' LEU . 2.4 tp10 -74.0 -32.79 63.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.792 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.459 ' HB2' ' HD2' ' D' ' 351' ' ' LYS . . . -75.55 -31.66 60.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.026 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.718 HD13 ' HG3' ' B' ' 337' ' ' ARG . 11.6 mt -75.1 -33.78 61.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -71.91 -31.48 66.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.748 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.7 mm? -70.15 -37.46 75.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.602 ' HE3' ' HB2' ' D' ' 347' ' ' ALA . 2.6 ttmt -64.19 -31.56 72.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.06 -31.44 72.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.42 -37.03 68.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -71.66 -35.57 70.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -82.87 -50.5 8.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.504 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.873 0.368 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.415 ' CD1' ' HG2' ' A' ' 333' ' ' ARG . 0.3 OUTLIER -153.71 135.36 14.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -150.03 127.19 11.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.857 HG23 ' HG3' ' A' ' 331' ' ' GLN . 0.2 OUTLIER -97.61 112.89 24.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.605 HD13 ' CE2' ' A' ' 338' ' ' PHE . 15.4 tp -109.05 122.22 46.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.481 ' HG3' HG23 ' A' ' 329' ' ' THR . 43.7 mt-30 -94.44 111.58 23.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.544 HG12 HD21 ' A' ' 330' ' ' LEU . 24.4 mm -103.5 119.63 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.408 ' HB3' ' CE1' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -98.63 32.87 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.495 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -142.32 125.87 2.78 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -60.34 -49.14 78.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.337 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -69.82 -39.85 76.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.718 ' HG3' HD13 ' A' ' 348' ' ' LEU . 3.5 ttm180 -59.28 -51.62 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.69 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.544 ' CD2' HD22 ' A' ' 330' ' ' LEU . 8.7 t80 -59.83 -45.01 93.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.265 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -55.82 -33.55 64.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.483 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.7 ttm -66.02 -60.24 3.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.183 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.483 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 6.9 m-85 -58.16 -29.15 65.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -36.79 84.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.967 0.413 . . . . 0.0 110.114 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.65 -31.91 47.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.307 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.804 HD21 HD21 ' C' ' 344' ' ' LEU . 0.2 OUTLIER -74.69 -31.9 62.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.45 179.541 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -72.56 -43.16 63.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.633 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.502 ' O ' HD12 ' B' ' 350' ' ' LEU . 1.5 mp0 -70.57 -36.11 73.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.621 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.11 -30.84 65.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.567 HD13 ' HD3' ' A' ' 337' ' ' ARG . 10.1 mt -71.37 -37.42 71.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.705 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -64.62 -30.95 71.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.502 HD12 ' O ' ' B' ' 346' ' ' GLU . 1.2 mp -66.8 -46.86 73.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -59.32 -30.87 68.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.29 -31.56 58.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.29 -35.29 55.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -82.13 -30.85 30.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.85 172.72 8.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.519 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.791 0.329 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -156.02 128.47 7.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -129.01 128.74 44.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.28 101.01 11.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.439 HD13 ' CE1' ' D' ' 338' ' ' PHE . 12.2 tp -93.69 106.28 18.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -83.88 113.71 21.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.655 HG23 ' OD1' ' D' ' 345' ' ' ASN . 4.9 mt -116.61 145.38 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.417 ' HG3' ' CE1' ' D' ' 327' ' ' TYR . 1.8 ttm180 -98.16 35.62 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -138.52 120.61 1.99 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 13.2 ttt85 -68.02 -33.06 73.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.21 -48.67 27.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -55.89 -43.59 77.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.716 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.516 ' CD1' HD22 ' D' ' 330' ' ' LEU . 12.8 t80 -61.29 -49.16 78.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.378 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.46 -32.62 58.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.641 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.558 ' O ' HD12 ' C' ' 344' ' ' LEU . 1.0 OUTLIER -66.7 -58.07 5.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.316 179.527 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.453 ' HE2' HD13 ' C' ' 332' ' ' ILE . 2.8 m-85 -61.91 -31.61 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.716 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -36.15 75.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.152 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -80.09 -31.86 39.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.16 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.804 HD21 HD21 ' B' ' 344' ' ' LEU . 0.7 OUTLIER -76.03 -30.62 58.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.476 179.514 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -74.72 -41.93 59.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.645 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.453 ' O ' HD23 ' C' ' 350' ' ' LEU . 8.0 tt0 -71.45 -34.62 70.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.685 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.95 -30.73 65.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.834 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.417 HD22 HH21 ' D' ' 337' ' ' ARG . 0.5 OUTLIER -71.09 -41.06 71.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.686 179.84 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.35 -31.45 72.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.453 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.4 mm? -71.51 -33.98 69.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -66.7 -35.31 79.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -66.54 -31.85 72.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.24 -31.2 54.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.487 ' OE1' HD23 ' B' ' 350' ' ' LEU . 2.8 mt-30 -88.1 -35.38 17.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -109.23 140.9 42.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.494 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . 0.405 ' HB3' ' CE1' ' D' ' 328' ' ' PHE . 10.8 mt-10 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.831 0.348 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.417 ' CE1' ' HG3' ' C' ' 333' ' ' ARG . 8.4 m-85 -99.45 152.85 19.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.405 ' CE1' ' HB3' ' D' ' 326' ' ' GLU . 16.4 m-85 -147.86 152.64 37.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 66.5 m -139.25 134.43 32.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.895 HD12 HD11 ' D' ' 332' ' ' ILE . 0.6 OUTLIER -130.99 117.83 19.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.36 84.55 6.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.895 HD11 HD12 ' D' ' 330' ' ' LEU . 3.7 mp -77.47 141.6 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -97.72 38.13 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -146.14 125.33 2.24 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.455 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -74.58 -33.03 62.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 0.0 111.039 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -71.28 -62.72 1.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.417 HH21 HD22 ' C' ' 348' ' ' LEU . 2.0 ptp85 -52.87 -43.0 65.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.439 ' CE1' HD13 ' C' ' 330' ' ' LEU . 4.0 t80 -61.04 -39.79 91.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.299 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -56.65 -41.89 77.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.618 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.1 mtm -62.14 -55.89 24.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.412 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -59.33 -31.38 69.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.788 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -37.23 86.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.951 0.405 . . . . 0.0 110.267 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -77.75 -32.39 52.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.299 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.788 ' O ' HD23 ' D' ' 348' ' ' LEU . 82.8 mt -74.13 -29.48 61.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.595 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.655 ' OD1' HG23 ' C' ' 332' ' ' ILE . 51.8 t30 -74.53 -43.86 53.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.722 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -71.58 -31.93 67.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.806 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.602 ' HB2' ' HE3' ' A' ' 351' ' ' LYS . . . -75.89 -31.1 59.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.983 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.836 HD13 ' HD3' ' D' ' 351' ' ' LYS . 3.1 mm? -73.76 -34.09 64.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.733 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -68.63 -31.36 70.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.97 -47.22 53.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.836 ' HD3' HD13 ' D' ' 348' ' ' LEU . 0.1 OUTLIER -69.51 -29.43 67.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -75.98 -30.91 58.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.73 -36.3 65.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -84.67 -31.57 24.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -90.55 104.14 16.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.462 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.405 ' HG2' ' CE2' ' A' ' 328' ' ' PHE . 10.8 tt0 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.816 0.341 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.406 ' CE1' ' HB3' ' B' ' 333' ' ' ARG . 23.4 m-85 -80.11 146.75 31.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.405 ' CE2' ' HG2' ' A' ' 326' ' ' GLU . 41.2 m-85 -134.71 98.56 4.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.582 HG22 ' CG2' ' B' ' 329' ' ' THR . 0.2 OUTLIER -63.01 143.9 57.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.907 HD23 HD11 ' A' ' 332' ' ' ILE . 14.7 tp -144.31 100.72 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -77.96 83.89 4.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.907 HD11 HD23 ' A' ' 330' ' ' LEU . 4.8 mt -88.4 126.87 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 9.5 ttp85 -87.53 72.81 9.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -168.64 113.07 0.51 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.41 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 11.7 ptp180 -62.4 -41.24 98.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -75.76 -44.7 40.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.651 ' CG ' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -57.34 -48.61 78.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.685 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.462 ' CE1' HD13 ' B' ' 330' ' ' LEU . 10.8 t80 -60.45 -46.83 88.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.242 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.46 -32.86 63.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.548 ' O ' HD12 ' A' ' 344' ' ' LEU . 1.3 ttp -67.1 -59.52 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.189 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.581 ' HE1' HD23 ' B' ' 344' ' ' LEU . 3.3 m-85 -59.92 -29.15 68.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.799 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -41.02 79.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.995 0.426 . . . . 0.0 110.168 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -76.11 -31.54 58.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.217 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.706 ' CD2' HD21 ' D' ' 344' ' ' LEU . 0.9 OUTLIER -73.7 -31.58 63.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.497 179.527 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.441 ' ND2' HD21 ' B' ' 330' ' ' LEU . 14.7 m-20 -71.57 -44.04 65.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.802 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.07 -34.76 73.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.779 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.45 -36.7 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.701 HD13 ' HD2' ' B' ' 337' ' ' ARG . 10.8 mt -77.08 -27.14 54.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.64 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.92 -29.07 58.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.662 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.07 -37.6 78.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.774 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 7.0 mtpp -65.08 -31.33 72.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.91 -32.11 73.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.45 -34.26 73.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -84.87 -37.94 20.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . 60.6 111.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.376 -1.236 . . . . 0.0 112.52 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.816 0.341 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 60.56 98.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.41 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 6.1 m-85 -110.89 109.98 20.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.582 ' CG2' HG22 ' A' ' 329' ' ' THR . 1.7 m -74.68 132.43 41.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.462 HD13 ' CE1' ' A' ' 338' ' ' PHE . 6.2 tp -134.59 105.2 6.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -100.77 114.99 29.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.775 HG21 ' HB3' ' B' ' 337' ' ' ARG . 3.1 mp -101.1 149.38 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.406 ' HB3' ' CE1' ' A' ' 327' ' ' TYR . 5.7 ptp180 -98.8 31.15 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -143.46 120.53 1.52 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -32.04 70.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.35 -46.18 23.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.775 ' HB3' HG21 ' B' ' 332' ' ' ILE . 1.5 tpp180 -58.11 -50.15 74.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.665 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.704 ' CE2' HD13 ' A' ' 330' ' ' LEU . 7.4 t80 -60.48 -43.8 96.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.176 179.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -55.4 -34.75 64.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.604 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 24.1 ttm -65.7 -60.08 3.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.23 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.442 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 7.4 m-85 -58.75 -28.53 65.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -36.84 84.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.987 0.422 . . . . 0.0 110.056 179.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -78.3 -31.08 48.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.319 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.84 HD11 HD11 ' C' ' 344' ' ' LEU . 2.3 tp -75.71 -30.7 59.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.587 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -74.53 -41.45 60.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.69 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.484 ' O ' HD23 ' B' ' 350' ' ' LEU . 16.5 tt0 -72.15 -35.05 68.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.76 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.7 -31.87 59.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.651 HD13 ' CG ' ' A' ' 337' ' ' ARG . 4.2 mt -74.44 -29.27 61.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.752 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -70.41 -31.64 68.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.72 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.484 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.8 mm? -71.69 -49.45 39.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.711 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -28.94 66.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.739 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -75.63 -30.44 59.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.767 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.57 -30.94 67.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.059 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -68.95 -31.62 70.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -138.35 79.2 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.318 -1.268 . . . . 0.0 112.493 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . 0.402 ' O ' ' CE1' ' C' ' 328' ' ' PHE . 5.6 mp0 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.833 0.349 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.415 ' CE1' ' HG3' ' D' ' 333' ' ' ARG . 88.7 m-85 -91.64 152.93 20.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.402 ' CE1' ' O ' ' C' ' 326' ' ' GLU . 26.0 m-85 -140.35 104.39 4.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.42 124.31 27.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.863 HD23 HD11 ' C' ' 332' ' ' ILE . 11.7 tp -118.2 103.88 10.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.506 ' HG3' HG22 ' D' ' 329' ' ' THR . 8.8 mt-30 -86.91 83.99 7.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.863 HD11 HD23 ' C' ' 330' ' ' LEU . 4.6 mt -89.22 143.55 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.422 ' HG2' ' CD1' ' D' ' 327' ' ' TYR . 38.5 mtm180 -101.04 37.59 1.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -138.91 135.32 7.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.33 -43.88 39.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.28 -41.3 66.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.456 ' HG3' ' CZ ' ' C' ' 341' ' ' PHE . 8.1 ttp180 -59.64 -52.7 64.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.616 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -62.4 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.013 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -31.89 67.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.383 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.27 -60.24 2.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.208 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.456 ' CZ ' ' HG3' ' C' ' 337' ' ' ARG . 3.3 m-85 -62.42 -28.61 69.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -71.68 -34.78 69.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.956 0.408 . . . . 0.0 110.286 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -80.9 -31.38 35.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.245 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.84 HD11 HD11 ' B' ' 344' ' ' LEU . 0.2 OUTLIER -76.93 -29.39 55.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.543 179.554 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.62 HD21 HG23 ' D' ' 332' ' ' ILE . 61.3 t-20 -76.91 -41.31 44.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.7 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.84 -31.03 61.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.672 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.36 -30.79 48.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.967 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.486 HD13 ' HG3' ' D' ' 337' ' ' ARG . 6.8 mt -76.64 -31.41 57.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.74 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -72.99 -29.87 63.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -70.1 -37.63 75.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -62.79 -32.11 73.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -71.83 -32.18 67.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.86 -37.11 78.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -67.37 -36.04 80.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -106.54 81.52 1.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.499 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.801 0.334 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.422 ' CD1' ' HG2' ' C' ' 333' ' ' ARG . 20.7 m-85 -105.83 152.83 22.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -147.04 98.23 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.506 HG22 ' HG3' ' C' ' 331' ' ' GLN . 0.8 OUTLIER -71.39 139.37 49.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.447 HD23 HD11 ' D' ' 332' ' ' ILE . 28.7 tp -131.74 110.3 10.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -96.85 90.16 5.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.62 HG23 HD21 ' C' ' 345' ' ' ASN . 3.6 mp -91.26 140.54 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.415 ' HG3' ' CE1' ' C' ' 327' ' ' TYR . 0.0 OUTLIER -98.77 33.42 2.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.01 125.6 4.34 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -75.04 -34.52 61.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.349 . . . . 0.0 110.934 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -75.65 -53.64 8.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.486 ' HG3' HD13 ' C' ' 348' ' ' LEU . 1.2 ttm105 -55.74 -41.74 74.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.72 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -62.12 -47.08 86.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.382 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -54.4 -35.14 62.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.681 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.9 ttp -65.5 -58.32 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.313 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.413 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 4.9 m-85 -59.24 -30.9 68.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.809 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.33 -39.4 89.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.093 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -76.86 -29.39 55.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.062 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.706 HD21 ' CD2' ' A' ' 344' ' ' LEU . 0.1 OUTLIER -74.36 -39.35 62.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.535 179.473 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -69.5 -39.19 77.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.765 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.06 -30.61 62.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.05 -29.79 58.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.401 HD13 ' HD3' ' C' ' 337' ' ' ARG . 13.9 mt -75.06 -39.01 61.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.789 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.42 -27.24 65.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' D' ' 350' ' ' LEU . 0.2 OUTLIER -71.65 -41.1 69.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -30.17 68.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -70.71 -31.8 68.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.24 -32.31 73.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -62.96 -35.4 80.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.33 97.91 9.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.399 -1.223 . . . . 0.0 112.47 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.804 0.335 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -158.31 153.06 24.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -143.57 92.89 2.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 2.9 m -60.87 150.42 33.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.845 HD23 HD11 ' A' ' 332' ' ' ILE . 15.2 tp -144.18 107.98 4.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -89.79 83.94 6.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.845 HD11 HD23 ' A' ' 330' ' ' LEU . 3.8 mp -86.63 130.22 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -98.76 32.61 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.517 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -134.63 109.66 0.8 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.518 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -60.25 -31.65 70.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.328 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -75.99 -54.08 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.5 ttm105 -56.32 -38.1 70.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.715 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -64.16 -48.61 75.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.329 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -54.43 -32.97 58.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.612 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.478 ' O ' HD12 ' A' ' 344' ' ' LEU . 3.2 mtp -66.72 -58.7 4.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.285 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.417 ' HB3' ' CG ' ' B' ' 341' ' ' PHE . 3.2 m-85 -60.55 -30.14 69.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.796 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -68.64 -37.14 79.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.219 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -79.12 -30.97 44.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.214 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.884 ' CD2' HD21 ' D' ' 344' ' ' LEU . 1.6 mp -75.78 -32.27 59.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.46 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.442 ' ND2' HD12 ' B' ' 332' ' ' ILE . 31.5 t-20 -73.25 -41.58 63.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.626 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -36.79 68.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.625 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.7 -31.27 64.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.789 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.8 HD13 ' HD3' ' B' ' 337' ' ' ARG . 1.5 mt -70.68 -37.27 73.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.584 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.21 -26.43 47.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.516 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 350' ' ' LEU . 9.9 tp -78.34 -31.37 48.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.816 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -33.38 65.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.82 -31.56 70.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.46 -43.87 68.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -79.56 -35.01 40.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -63.59 178.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.356 -1.247 . . . . 0.0 112.495 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.831 0.348 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -118.08 119.89 36.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -102.32 103.63 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.17 152.81 32.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.473 ' CG ' HD11 ' B' ' 332' ' ' ILE . 13.7 tp -154.2 98.49 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -89.15 108.95 19.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.482 HG22 ' H ' ' B' ' 334' ' ' GLY . 28.0 mm -103.47 137.76 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -98.77 30.65 3.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.482 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -132.04 128.73 5.37 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.505 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -70.36 -47.74 59.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.53 -44.52 62.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.8 ' HD3' HD13 ' A' ' 348' ' ' LEU . 1.0 OUTLIER -58.71 -51.36 70.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.618 179.783 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.671 ' CE2' HD13 ' A' ' 330' ' ' LEU . 7.3 t80 -62.41 -43.76 98.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.0 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -57.31 -32.08 66.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.366 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 5.8 ttm -67.12 -60.97 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.159 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.457 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 5.4 m-85 -59.96 -27.28 66.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -68.82 -34.88 76.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.925 0.393 . . . . 0.0 110.218 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -79.29 -31.96 43.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.319 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.801 ' O ' HD23 ' B' ' 348' ' ' LEU . 0.5 OUTLIER -75.29 -32.0 60.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.484 179.578 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.616 ' OD1' HG23 ' A' ' 332' ' ' ILE . 3.6 t30 -73.58 -41.39 62.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.666 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.468 ' O ' HD12 ' B' ' 350' ' ' LEU . 36.8 mt-10 -72.27 -31.15 65.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.709 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.432 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -73.56 -31.12 63.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.945 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.801 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.5 mm? -72.57 -41.9 65.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.87 -30.97 70.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.468 HD12 ' O ' ' B' ' 346' ' ' GLU . 2.3 mt -69.62 -35.93 75.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -63.37 -32.93 74.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -66.97 -36.34 81.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.74 -35.74 78.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -68.61 -35.28 77.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -66.77 86.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.045 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.467 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.795 0.331 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 60.06 101.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -117.4 102.31 9.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.406 HG22 ' HG3' ' D' ' 331' ' ' GLN . 0.8 OUTLIER -68.82 134.79 50.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.573 ' O ' HD12 ' C' ' 332' ' ' ILE . 17.6 tp -130.99 109.54 10.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -86.31 100.46 12.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.573 HD12 ' O ' ' C' ' 330' ' ' LEU . 3.8 mp -102.57 141.7 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -98.87 34.67 2.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.69 123.53 3.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.61 -64.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -60.33 -38.39 83.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.82 ' HG2' HD22 ' D' ' 348' ' ' LEU . 3.0 tpt180 -59.23 -51.39 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.718 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.629 ' CE1' HD13 ' D' ' 330' ' ' LEU . 9.7 t80 -60.81 -46.55 90.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.131 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -55.85 -32.41 63.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.393 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 30.5 ttm -66.03 -60.18 3.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.199 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.598 ' HE2' HD13 ' D' ' 344' ' ' LEU . 5.1 m-85 -60.48 -31.26 70.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.799 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -35.03 77.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.981 0.42 . . . . 0.0 110.122 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -79.26 -30.7 43.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.134 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.798 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.8 OUTLIER -73.08 -32.19 64.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.494 179.586 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -73.76 -46.47 45.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.585 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.92 -29.24 65.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.606 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.432 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -75.29 -32.85 61.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.008 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.798 HD23 ' O ' ' C' ' 344' ' ' LEU . 2.9 mm? -72.09 -37.42 69.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.749 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.58 -30.25 70.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -37.68 88.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -60.01 -38.96 84.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.87 -40.58 97.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.83 -33.66 76.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.065 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -79.6 -46.72 16.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . 59.55 79.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.422 -1.21 . . . . 0.0 112.473 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.842 0.354 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -136.58 144.07 43.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -137.34 118.49 14.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 1.8 m -82.25 116.33 21.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.819 HD23 HD11 ' D' ' 332' ' ' ILE . 20.1 tp -106.03 112.34 25.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.406 ' HG3' HG22 ' C' ' 329' ' ' THR . 6.0 mt-30 -90.87 84.08 5.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.819 HD11 HD23 ' D' ' 330' ' ' LEU . 3.8 mp -86.92 119.82 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -85.58 76.49 10.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 177.19 140.24 3.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.459 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -76.3 -51.08 12.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -68.0 -39.23 83.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.451 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 3.9 tpp180 -60.36 -53.22 60.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.624 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -60.47 -42.88 97.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.167 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -56.93 -34.26 67.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.494 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.3 ttp -66.6 -59.95 3.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.219 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.451 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 3.6 m-85 -60.77 -27.85 68.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.676 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -67.5 -33.69 75.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.106 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.93 -35.28 59.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.394 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.884 HD21 ' CD2' ' A' ' 344' ' ' LEU . 7.1 mt -71.83 -36.59 70.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.495 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.447 ' OD1' HG23 ' C' ' 332' ' ' ILE . 54.6 t30 -67.24 -40.36 86.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.448 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -68.46 -45.91 71.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.582 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.42 -28.62 68.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.7 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.82 HD22 ' HG2' ' C' ' 337' ' ' ARG . 10.6 tp -68.73 -39.43 80.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.77 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -61.79 -33.79 74.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.38 -32.66 70.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.803 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.72 -32.26 73.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.33 -32.23 73.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.74 -30.91 46.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -84.57 -31.5 24.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.64 -54.2 9.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.352 -1.249 . . . . 0.0 112.49 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.759 0.314 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -131.9 152.52 51.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -147.42 91.27 1.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.588 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -70.97 138.15 49.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.733 HD23 HD11 ' A' ' 332' ' ' ILE . 17.9 tp -138.43 114.27 9.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -96.13 84.91 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.733 HD11 HD23 ' A' ' 330' ' ' LEU . 3.8 mp -82.53 136.85 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -98.42 35.04 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -134.25 122.43 2.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -65.78 -44.08 86.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -72.4 -42.77 64.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.776 ' HG3' HD13 ' B' ' 348' ' ' LEU . 6.4 ttm180 -57.65 -48.44 79.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.701 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.717 ' CE1' HD13 ' B' ' 330' ' ' LEU . 11.3 t80 -59.16 -46.77 87.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.436 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -55.27 -33.51 63.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.672 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.3 ttp -67.17 -58.33 5.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.368 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.473 ' CD2' ' CD1' ' B' ' 341' ' ' PHE . 2.8 m-85 -61.68 -28.69 69.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.759 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttt-85 -69.06 -34.58 75.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.261 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -79.78 -32.81 40.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.325 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.983 HD21 HD21 ' D' ' 344' ' ' LEU . 1.2 mt -75.31 -29.55 60.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.508 179.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -75.42 -42.44 53.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.709 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.492 ' O ' HD23 ' A' ' 350' ' ' LEU . 0.5 OUTLIER -72.28 -32.14 66.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.706 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.34 -30.46 60.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.013 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.529 HD23 ' HD2' ' A' ' 351' ' ' LYS . 9.1 mt -74.38 -35.52 63.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -71.44 -28.67 64.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 346' ' ' GLU . 2.9 mm? -73.78 -42.45 60.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.529 ' HD2' HD23 ' A' ' 348' ' ' LEU . 17.3 ptpt -68.19 -30.59 69.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.81 -31.9 70.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -79.41 -30.95 42.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.075 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -87.02 -31.31 20.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -101.11 108.89 20.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.498 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.824 0.345 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -95.75 152.83 18.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -136.55 103.12 5.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.588 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -73.61 106.18 5.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.948 HD23 HD11 ' B' ' 332' ' ' ILE . 21.3 tp -104.02 97.64 7.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -77.71 96.73 4.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.948 HD11 HD23 ' B' ' 330' ' ' LEU . 4.8 mt -101.12 150.13 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -110.22 42.39 1.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.93 120.68 1.76 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.85 -34.64 60.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -71.43 -58.61 3.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.428 ' HB3' HD13 ' A' ' 348' ' ' LEU . 10.1 ptp180 -54.77 -45.21 74.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.788 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -59.94 -39.37 85.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.323 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.03 -41.91 79.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.663 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.465 ' O ' HD12 ' B' ' 344' ' ' LEU . 1.1 ttp -62.09 -55.5 28.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.437 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.473 ' CD1' ' CD2' ' A' ' 341' ' ' PHE . 3.8 m-85 -58.85 -31.57 68.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.838 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -64.12 -36.5 84.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.268 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -78.84 -31.87 45.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.299 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.759 HD21 HD21 ' C' ' 344' ' ' LEU . 2.2 mp -75.79 -31.26 59.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.539 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.6 ' OD1' HG23 ' A' ' 332' ' ' ILE . 4.7 t30 -74.09 -40.74 62.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.706 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -72.83 -35.22 67.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.2 -29.79 54.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.776 HD13 ' HG3' ' A' ' 337' ' ' ARG . 15.4 mt -79.69 -24.49 41.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.8 -34.77 33.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.543 ' C ' HD12 ' B' ' 350' ' ' LEU . 3.9 pp -78.11 -30.33 49.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.477 ' N ' HD12 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -79.92 -29.15 39.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.785 179.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -78.02 -30.67 50.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.11 -31.23 61.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -77.53 -31.68 53.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -91.24 164.7 13.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.483 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . 0.433 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.788 0.328 . . . . 0.0 111.203 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.407 ' CE1' ' HG3' ' D' ' 333' ' ' ARG . 24.7 m-85 -105.63 113.96 27.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.433 ' CZ ' ' HB3' ' C' ' 326' ' ' GLU . 23.8 m-85 -105.55 117.59 34.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.6 m -83.86 130.89 34.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.527 HD23 HD11 ' C' ' 332' ' ' ILE . 27.7 tp -130.36 101.7 5.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.444 HE21 HG23 ' D' ' 329' ' ' THR . 2.1 tt0 -85.62 90.11 7.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.527 HD11 HD23 ' C' ' 330' ' ' LEU . 4.4 mt -87.06 153.14 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.057 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.2 37.51 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.48 126.68 4.41 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.31 -40.26 58.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -73.65 -50.08 22.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 mtm105 -57.07 -41.7 79.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.738 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.7 ' CE2' HD13 ' D' ' 330' ' ' LEU . 11.5 t80 -61.38 -47.3 86.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.421 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.48 -34.77 62.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.713 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 3.4 ttp -66.52 -58.34 5.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.326 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.411 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 2.7 m-85 -62.38 -29.82 70.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.666 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -69.2 -33.43 73.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.191 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -78.9 -32.64 45.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.344 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.759 HD21 HD21 ' B' ' 344' ' ' LEU . 0.6 OUTLIER -75.93 -34.92 59.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.495 179.617 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.654 ' OD1' HG23 ' D' ' 332' ' ' ILE . 21.9 m-80 -71.63 -37.23 70.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.426 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.1 -43.3 65.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.592 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.0 -28.57 65.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.672 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.8 HD22 ' HG2' ' D' ' 337' ' ' ARG . 6.1 tp -71.29 -36.96 71.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.725 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -65.37 -31.5 72.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.19 -31.69 64.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -69.12 -31.45 70.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.3 -31.53 72.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.37 -30.75 62.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.52 -40.42 29.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -77.09 -34.84 56.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.352 -1.249 . . . . 0.0 112.471 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . 0.427 ' HB3' ' CE1' ' D' ' 328' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.834 0.35 . . . . 0.0 111.193 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.418 ' CD1' ' HG2' ' C' ' 331' ' ' GLN . 0.0 OUTLIER -106.26 138.24 42.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.427 ' CE1' ' HB3' ' D' ' 326' ' ' GLU . 48.4 m-85 -140.34 140.57 35.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.444 HG23 HE21 ' C' ' 331' ' ' GLN . 0.2 OUTLIER -108.31 121.21 44.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.7 HD13 ' CE2' ' C' ' 338' ' ' PHE . 13.9 tp -124.48 120.54 32.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -93.48 111.94 23.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.654 HG23 ' OD1' ' C' ' 345' ' ' ASN . 3.8 mp -102.95 124.54 57.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.407 ' HG3' ' CE1' ' C' ' 327' ' ' TYR . 21.3 ttp180 -97.76 74.52 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.52 138.05 2.55 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 8.5 ttp85 -72.78 -47.9 42.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -70.71 -40.63 72.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.8 ' HG2' HD22 ' C' ' 348' ' ' LEU . 2.0 tpp180 -59.12 -51.43 70.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.668 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -60.33 -45.05 94.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.172 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.17 -32.76 64.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.455 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.541 ' O ' HD12 ' D' ' 344' ' ' LEU . 13.4 ttm -67.02 -60.85 2.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.138 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.524 ' HE2' HD13 ' C' ' 344' ' ' LEU . 4.6 m-85 -60.62 -28.16 68.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.745 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -69.33 -36.6 77.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.01 0.433 . . . . 0.0 110.13 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -77.82 -32.27 52.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.294 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.983 HD21 HD21 ' A' ' 344' ' ' LEU . 1.9 mp -73.66 -31.16 63.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.501 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -72.9 -44.15 61.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.71 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -70.6 -33.79 71.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.742 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.85 -33.43 62.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.769 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.1 mm? -71.38 -31.73 67.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.67 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -66.82 -31.68 72.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.5 mt -73.17 -39.23 65.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -68.11 -31.26 70.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -67.81 -31.61 71.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.13 72.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -89.87 -32.08 17.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.27 132.65 54.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.35 -1.25 . . . . 0.0 112.489 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 24.2 mt-10 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.814 0.34 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.433 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 29.5 m-85 -89.88 147.27 23.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 326' ' ' GLU . 13.7 m-85 -137.04 110.94 8.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.57 HG23 ' HG3' ' B' ' 331' ' ' GLN . 2.6 m -90.73 141.72 28.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.725 HD23 HD11 ' A' ' 332' ' ' ILE . 21.1 tp -137.64 108.39 6.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.493 ' HG2' HG22 ' B' ' 329' ' ' THR . 3.8 mm-40 -79.87 84.14 5.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.725 HD11 HD23 ' A' ' 330' ' ' LEU . 5.0 mt -86.76 123.7 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -91.25 75.32 6.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -166.22 128.65 1.79 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -74.31 -46.32 41.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.807 0.337 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -74.68 -45.83 41.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.648 ' CG ' HD13 ' B' ' 348' ' ' LEU . 4.3 ttm180 -57.17 -47.99 79.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.737 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -60.04 -45.93 91.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.355 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -55.38 -34.34 64.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.573 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.33 -58.88 4.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.207 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.411 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.3 m-85 -59.2 -29.52 67.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.644 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -64.99 -39.91 94.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.947 0.403 . . . . 0.0 110.153 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -75.52 -33.52 60.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.287 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.525 HD22 HD11 ' D' ' 344' ' ' LEU . 86.6 mt -72.22 -29.14 63.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.407 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.401 HD21 HG21 ' B' ' 332' ' ' ILE . 0.8 OUTLIER -72.18 -46.8 54.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.668 179.805 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -70.19 -31.18 68.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.781 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.97 -34.01 51.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.038 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.651 HD13 ' HG2' ' B' ' 337' ' ' ARG . 13.1 mt -77.74 -30.21 51.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.767 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -77.57 -29.88 52.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 10.0 mt -74.31 -31.71 62.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -69.57 -31.02 68.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.95 -31.62 63.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.25 -40.05 62.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -30.66 51.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -88.13 -46.74 9.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.382 -1.232 . . . . 0.0 112.506 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.819 0.342 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 60.55 111.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.414 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 4.3 m-85 -129.53 140.74 51.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.493 HG22 ' HG2' ' A' ' 331' ' ' GLN . 0.8 OUTLIER -103.3 149.33 24.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.868 ' CD2' HD11 ' B' ' 332' ' ' ILE . 11.7 tp -132.11 90.16 2.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.57 ' HG3' HG23 ' A' ' 329' ' ' THR . 24.6 mp0 -84.95 96.26 9.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.868 HD11 ' CD2' ' B' ' 330' ' ' LEU . 4.8 mt -112.62 144.79 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.433 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -98.12 35.6 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.07 126.78 4.93 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -73.44 -35.45 65.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.792 0.33 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -73.43 -46.89 45.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.651 ' HG2' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -56.79 -47.07 81.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.679 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.409 ' CE1' HD13 ' A' ' 330' ' ' LEU . 10.6 t80 -59.15 -46.46 88.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.382 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -54.23 -35.18 62.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.62 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.8 ttm -65.96 -59.31 3.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.216 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.483 ' HE2' HD13 ' B' ' 332' ' ' ILE . 4.5 m-85 -61.05 -29.75 69.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.769 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -36.78 78.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.931 0.396 . . . . 0.0 110.078 179.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -80.01 -30.6 39.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.201 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.866 HD21 HD11 ' C' ' 344' ' ' LEU . 11.1 mt -76.94 -30.01 55.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.588 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.656 ' OD1' HG23 ' A' ' 332' ' ' ILE . 18.6 t30 -76.37 -40.58 50.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.659 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -74.3 -31.96 62.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.724 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.594 ' HB2' ' HE2' ' C' ' 351' ' ' LYS . . . -77.38 -31.11 54.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.953 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.753 HD12 ' O ' ' B' ' 344' ' ' LEU . 0.4 OUTLIER -75.55 -32.2 60.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.694 179.839 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -74.08 -29.19 61.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.754 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.55 -36.53 73.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.613 ' HD2' ' HB2' ' C' ' 347' ' ' ALA . 10.7 mtpp -66.44 -31.94 73.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -64.87 -31.89 73.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.86 -34.11 68.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.069 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -69.5 -34.28 74.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -102.54 167.62 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.514 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.841 0.353 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 61.76 115.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -134.36 129.84 36.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.93 101.12 11.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.703 ' CD2' HD11 ' C' ' 332' ' ' ILE . 5.8 tp -83.69 109.35 17.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.726 ' HG2' HG23 ' D' ' 329' ' ' THR . 75.1 mt-30 -108.11 124.85 50.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.703 HD11 ' CD2' ' C' ' 330' ' ' LEU . 3.8 mp -130.77 153.57 39.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ptt-85 -98.56 32.15 2.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.93 124.27 3.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.511 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -69.18 -33.64 73.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.737 0.304 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -76.27 -51.52 11.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.646 ' CG ' HD13 ' D' ' 348' ' ' LEU . 5.0 mtm180 -55.95 -43.8 77.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.67 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -61.58 -47.54 85.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.347 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -54.84 -33.5 61.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.662 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.4 ttm -66.58 -58.39 5.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.318 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.431 ' CD2' ' CD2' ' D' ' 341' ' ' PHE . 3.7 m-85 -60.45 -30.12 69.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.803 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.442 ' HA ' HD21 ' D' ' 330' ' ' LEU . 0.0 OUTLIER -67.71 -36.81 81.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.183 179.439 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -79.11 -31.1 44.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.201 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.866 HD11 HD21 ' B' ' 344' ' ' LEU . 0.1 OUTLIER -75.76 -32.55 60.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.477 179.557 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.515 ' OD1' HG23 ' D' ' 332' ' ' ILE . 51.6 t30 -73.36 -40.88 64.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.707 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.533 ' O ' HD12 ' C' ' 350' ' ' LEU . 15.7 tt0 -72.08 -35.32 69.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.708 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.613 ' HB2' ' HD2' ' B' ' 351' ' ' LYS . . . -74.61 -33.36 62.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.746 HD13 ' CG ' ' D' ' 337' ' ' ARG . 1.7 mt -72.94 -30.18 63.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.71 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -69.12 -29.82 67.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.533 HD12 ' O ' ' C' ' 346' ' ' GLU . 1.2 mp -64.82 -41.88 95.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.594 ' HE2' ' HB2' ' B' ' 347' ' ' ALA . 1.2 mptp? -61.49 -30.92 70.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.85 -32.5 69.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.37 -33.51 65.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -75.75 -34.6 60.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -80.01 85.46 5.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.509 -179.953 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.787 0.327 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 60.21 110.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.403 ' CD2' ' N ' ' D' ' 328' ' ' PHE . 6.9 m-85 -107.24 124.65 50.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.726 HG23 ' HG2' ' C' ' 331' ' ' GLN . 1.3 m -92.8 137.0 32.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.442 HD21 ' HA ' ' C' ' 342' ' ' ARG . 15.9 tp -130.6 97.12 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -67.86 117.86 10.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.515 HG23 ' OD1' ' C' ' 345' ' ' ASN . 30.6 mt -136.86 132.49 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -95.55 42.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -126.77 109.77 1.15 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -60.9 -48.87 79.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.852 0.358 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -68.33 -41.36 80.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.746 ' CG ' HD13 ' C' ' 348' ' ' LEU . 4.0 mtm180 -58.29 -45.61 87.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.769 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -59.33 -48.16 82.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -54.29 -33.75 59.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.631 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.3 mmm -66.61 -58.88 4.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.317 179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.431 ' CD2' ' CD2' ' C' ' 341' ' ' PHE . 3.3 m-85 -61.54 -29.75 70.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.777 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -70.17 -37.85 75.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.981 0.42 . . . . 0.0 110.17 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -78.81 -32.11 46.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.205 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.525 HD11 HD22 ' A' ' 344' ' ' LEU . 0.4 OUTLIER -75.06 -28.7 60.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.504 179.511 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.43 ' OD1' HG23 ' C' ' 332' ' ' ILE . 38.3 t30 -75.25 -43.96 48.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.665 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -72.71 -32.08 65.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.709 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.94 -30.07 50.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.988 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.646 HD13 ' CG ' ' C' ' 337' ' ' ARG . 7.9 mt -76.99 -29.18 55.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -74.4 -31.32 62.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 11.6 mt -74.49 -43.75 54.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.802 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -28.62 64.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.811 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -75.32 -31.04 60.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.845 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.32 -30.95 68.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -68.5 -40.13 81.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -125.91 126.75 44.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.087 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.493 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.792 0.329 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.417 ' CE2' ' HB2' ' B' ' 333' ' ' ARG . 23.3 m-85 -96.76 152.94 18.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -129.57 122.55 29.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.917 HG23 ' HG2' ' B' ' 331' ' ' GLN . 0.2 OUTLIER -100.24 140.69 34.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 330' ' ' LEU . 13.1 tp -137.39 114.19 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -86.54 89.03 7.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.628 HG23 ' OD1' ' B' ' 345' ' ' ASN . 5.0 mt -94.77 130.17 43.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.013 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -95.07 43.97 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -129.4 120.67 3.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -70.0 -48.62 57.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.83 0.348 . . . . 0.0 110.93 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -71.6 -48.77 45.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -56.65 -40.72 75.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.752 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -61.45 -49.07 78.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.449 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.02 -33.65 57.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.71 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.4 ttp -66.73 -57.95 6.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.388 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.69 -30.41 69.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.758 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -69.19 -42.16 76.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.083 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -73.98 -31.07 62.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.027 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 1.005 HD11 HD11 ' D' ' 344' ' ' LEU . 0.1 OUTLIER -71.78 -40.42 69.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.38 179.421 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.573 ' OD1' HG23 ' B' ' 332' ' ' ILE . 8.9 t30 -64.07 -41.03 97.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.641 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.718 ' O ' HD23 ' A' ' 350' ' ' LEU . 5.9 tt0 -67.99 -32.5 72.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.764 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.22 -39.06 78.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.985 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.583 HD13 ' HD2' ' A' ' 351' ' ' LYS . 3.6 mm? -65.66 -40.14 92.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.738 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -62.29 -30.55 71.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.7 mm? -67.87 -49.47 61.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.583 ' HD2' HD13 ' A' ' 348' ' ' LEU . 0.3 OUTLIER -63.81 -31.12 72.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.71 -33.39 62.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.86 -32.02 51.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.82 -31.36 17.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 351' ' ' LYS . . . -103.23 91.76 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.48 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.842 0.353 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 60.67 110.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.427 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 5.8 m-85 -116.24 100.22 7.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.4 m -70.56 151.24 45.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.595 ' CD2' HD11 ' B' ' 332' ' ' ILE . 26.0 tp -147.53 108.51 4.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.917 ' HG2' HG23 ' A' ' 329' ' ' THR . 0.2 OUTLIER -96.41 102.71 14.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.595 HD11 ' CD2' ' B' ' 330' ' ' LEU . 5.1 mt -110.73 141.61 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.057 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.417 ' HB2' ' CE2' ' A' ' 327' ' ' TYR . 10.0 ttt-85 -97.77 37.89 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.09 119.92 2.63 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -69.17 -36.29 77.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.32 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -75.59 -50.88 14.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -56.38 -43.85 79.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.669 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -61.5 -46.66 89.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.385 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -55.35 -33.96 63.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.64 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 22.9 ttm -66.51 -58.02 6.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.348 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -61.6 -30.34 70.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.685 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.42 -35.2 77.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.985 0.422 . . . . 0.0 110.243 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -80.14 -31.48 39.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.313 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.79 ' O ' HD23 ' B' ' 348' ' ' LEU . 1.9 mt -76.1 -29.92 58.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.571 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.628 ' OD1' HG23 ' A' ' 332' ' ' ILE . 43.4 t30 -75.94 -41.96 50.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.608 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.476 ' O ' HD23 ' B' ' 350' ' ' LEU . 3.6 mm-40 -73.11 -31.96 64.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.734 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.23 -31.07 58.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.974 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.812 HD13 ' HD3' ' B' ' 351' ' ' LYS . 3.1 mm? -74.26 -34.23 63.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.747 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -69.29 -33.43 73.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.476 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.6 mm? -72.66 -45.68 57.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.772 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.812 ' HD3' HD13 ' B' ' 348' ' ' LEU . 6.1 ptmt -72.5 -29.15 63.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.788 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -79.26 -29.69 42.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.33 -30.82 54.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -87.07 -35.05 18.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -104.44 78.92 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.48 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.813 0.34 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 61.04 112.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -127.21 97.12 4.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.39 95.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.749 HD12 ' CD1' ' D' ' 338' ' ' PHE . 6.7 tt -89.68 115.21 26.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.586 ' HG2' HG23 ' D' ' 329' ' ' THR . 42.2 mt-30 -91.94 133.24 35.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.446 HG22 ' H ' ' C' ' 334' ' ' GLY . 3.7 mp -125.93 133.17 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 48.2 ttp85 -98.31 33.79 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.446 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -141.24 129.59 4.11 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -68.6 -39.69 80.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.788 0.328 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -74.02 -49.71 23.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.3 mtm105 -56.64 -42.6 79.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.765 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -61.37 -47.66 84.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.451 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -54.87 -33.38 61.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.547 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.6 ttm -66.51 -59.1 3.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.278 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -60.92 -30.48 70.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.724 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.9 ttt-85 -67.74 -33.91 75.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.996 0.427 . . . . 0.0 110.116 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.49 -31.7 42.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.233 179.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.736 HD21 ' CG ' ' B' ' 344' ' ' LEU . 1.2 mt -74.96 -33.18 61.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.495 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.3 -41.19 63.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.59 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.2 -36.28 71.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.693 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.81 -32.08 69.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.567 HD11 ' HD2' ' D' ' 337' ' ' ARG . 13.4 mt -69.19 -41.08 77.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.597 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -74.4 -25.22 59.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.571 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' C' ' 350' ' ' LEU . 8.8 tp -78.51 -37.69 42.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -73.56 -30.54 63.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.71 -30.99 61.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.92 -30.73 50.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -88.78 -34.84 16.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.03 -33.41 71.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.1 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.471 179.953 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.813 0.34 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 63.44 137.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -152.05 127.3 9.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.586 HG23 ' HG2' ' C' ' 331' ' ' GLN . 0.6 OUTLIER -99.04 125.58 44.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 6.4 tp -130.96 99.26 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -61.2 124.98 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.458 HD13 ' HD1' ' D' ' 341' ' ' PHE . 4.8 mt -127.25 116.4 43.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.092 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -83.46 78.82 9.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.97 136.63 3.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.58 -64.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -60.59 -38.71 85.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.567 ' HD2' HD11 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -59.85 -52.16 66.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.691 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.749 ' CD1' HD12 ' C' ' 330' ' ' LEU . 8.0 t80 -61.37 -44.53 97.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.134 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -57.16 -32.42 66.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.382 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.6 mtp -67.08 -61.09 2.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.115 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.458 ' HD1' HD13 ' D' ' 332' ' ' ILE . 3.0 m-85 -61.93 -28.08 69.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.796 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -73.97 -40.08 63.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.969 0.414 . . . . 0.0 110.065 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -75.88 -30.87 58.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.225 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 1.005 HD11 HD11 ' A' ' 344' ' ' LEU . 1.1 tp -72.59 -31.19 65.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.58 179.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -73.04 -45.96 54.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.718 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.76 -30.72 67.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.734 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.64 -33.19 58.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.726 HD23 ' O ' ' D' ' 344' ' ' LEU . 2.4 mm? -73.14 -31.11 64.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.737 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -69.86 -29.87 67.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 11.4 mt -69.33 -43.91 72.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -61.63 -35.14 77.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.94 -33.9 70.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.45 -31.53 69.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -89.76 -32.11 17.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -92.48 131.49 37.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.401 -1.222 . . . . 0.0 112.524 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.891 0.377 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -72.97 153.09 41.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -137.57 101.8 4.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.08 152.33 39.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.453 HD13 ' CE1' ' B' ' 338' ' ' PHE . 12.9 tp -156.92 116.95 3.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -92.77 83.25 4.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.494 ' H ' HD12 ' A' ' 332' ' ' ILE . 3.6 mp -74.76 128.69 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.65 34.06 2.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.494 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -133.93 107.02 0.64 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.9 ttm-85 -59.27 -31.66 69.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 111.033 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.67 -60.81 2.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.668 ' HB3' HD13 ' B' ' 348' ' ' LEU . 5.5 ptp85 -55.82 -40.82 73.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.858 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.41 ' CZ ' ' HD2' ' A' ' 342' ' ' ARG . 3.7 t80 -63.64 -39.25 93.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.304 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -57.4 -41.26 79.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.577 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.564 ' O ' HD12 ' A' ' 344' ' ' LEU . 12.5 ttm -62.37 -55.76 24.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.418 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.423 ' CE1' ' HA ' ' B' ' 341' ' ' PHE . 3.9 m-85 -58.98 -31.34 68.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.697 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.41 ' HD2' ' CZ ' ' A' ' 338' ' ' PHE . 5.5 tpm_? -63.4 -37.3 86.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.261 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -78.35 -32.13 48.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.363 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.701 HD21 HD21 ' D' ' 344' ' ' LEU . 2.7 mp -76.65 -29.54 56.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.639 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.545 ' ND2' HD21 ' B' ' 330' ' ' LEU . 15.9 m-20 -75.4 -39.6 58.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.745 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -75.09 -31.35 61.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.772 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.33 -30.76 48.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.026 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.864 HD13 ' HD3' ' B' ' 337' ' ' ARG . 4.7 mt -77.39 -30.78 53.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.766 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -74.14 -30.48 62.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.807 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.8 mt -69.96 -34.89 73.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -63.83 -31.45 72.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -72.06 -33.69 68.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.65 -32.35 72.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -90.37 -35.08 15.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . 60.59 91.13 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.357 -1.246 . . . . 0.0 112.439 179.948 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.835 0.35 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 63.25 142.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -153.09 124.47 7.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.5 m -94.56 147.63 23.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.993 HD23 HD11 ' B' ' 332' ' ' ILE . 15.5 tp -148.29 151.69 35.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -139.06 109.07 6.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.993 HD11 HD23 ' B' ' 330' ' ' LEU . 3.5 mp -110.33 151.38 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -106.16 34.57 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.13 131.92 6.61 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 -71.93 -52.31 17.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -64.97 -38.79 92.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.864 ' HD3' HD13 ' A' ' 348' ' ' LEU . 13.3 ttp180 -59.56 -52.39 65.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.453 ' CE1' HD13 ' A' ' 330' ' ' LEU . 8.9 t80 -61.11 -45.28 95.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.089 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -56.79 -31.91 65.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.409 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.4 ttm -67.24 -60.3 2.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.22 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.46 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 2.2 m-85 -61.42 -28.29 69.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.797 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -72.03 -37.29 69.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.949 0.404 . . . . 0.0 110.408 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.87 -32.12 51.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.32 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.746 HD11 HD21 ' C' ' 344' ' ' LEU . 0.4 OUTLIER -75.06 -31.36 61.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.584 179.599 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -73.53 -41.62 62.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.61 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.477 ' O ' HD12 ' B' ' 350' ' ' LEU . 1.5 tp10 -70.42 -36.58 74.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.709 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.597 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -70.93 -31.34 67.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.668 HD13 ' HB3' ' A' ' 337' ' ' ARG . 3.5 mt -70.76 -38.94 73.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.703 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -65.15 -31.32 72.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.79 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.477 HD12 ' O ' ' B' ' 346' ' ' GLU . 0.9 OUTLIER -66.04 -38.03 87.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.75 -34.45 72.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.65 -32.68 71.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.75 -30.88 45.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -84.89 -31.26 23.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.63 -31.04 68.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.555 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.768 0.318 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 61.05 113.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -139.31 98.85 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.3 m -63.53 139.82 58.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' C' ' 330' ' ' LEU . 16.5 tp -151.67 117.99 5.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.72 100.23 9.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.523 HG22 ' H ' ' C' ' 334' ' ' GLY . 3.3 mt -98.36 137.37 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -79.67 -29.56 40.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.969 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.523 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -61.77 118.31 14.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.526 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -76.19 -39.5 54.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -68.0 -53.36 26.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.512 ' HB3' HD13 ' D' ' 348' ' ' LEU . 18.1 ptp180 -56.65 -46.92 80.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.751 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 4.1 t80 -59.24 -39.84 84.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.426 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -56.96 -41.12 77.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.642 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.611 ' O ' HD12 ' C' ' 344' ' ' LEU . 10.2 mtm -62.94 -55.97 21.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.371 179.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -58.83 -30.13 67.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.735 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -63.99 -38.93 92.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.242 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -76.06 -33.69 59.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.346 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.746 HD21 HD11 ' B' ' 344' ' ' LEU . 2.5 mp -73.63 -28.75 61.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.529 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.5 ' ND2' HD21 ' D' ' 330' ' ' LEU . 1.2 m-80 -73.52 -43.65 59.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.72 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -72.68 -32.18 65.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.749 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.84 -30.61 51.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.975 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.509 HD13 ' CD ' ' D' ' 337' ' ' ARG . 8.9 mt -76.66 -29.67 56.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.827 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -73.77 -31.63 63.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 9.1 mt -69.93 -38.32 76.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.597 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 4.1 mtmp? -67.24 -41.9 84.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.838 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.21 -31.59 72.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.92 -31.39 61.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -80.45 -38.88 29.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.62 -33.45 72.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.503 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.841 0.353 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 62.63 147.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.426 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 23.8 m-85 -153.66 104.51 2.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.75 117.96 10.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.757 HD23 HD11 ' D' ' 332' ' ' ILE . 6.6 tp -126.57 119.9 28.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -100.94 106.19 17.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.757 HD11 HD23 ' D' ' 330' ' ' LEU . 4.0 mp -97.67 132.31 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -98.39 33.49 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.491 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -137.91 140.99 11.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 48.4 ttt-85 -74.62 -63.0 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.953 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.11 -35.39 73.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.633 ' HG2' HG21 ' D' ' 332' ' ' ILE . 0.1 OUTLIER -61.2 -53.95 50.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.658 179.833 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -61.97 -43.72 98.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.009 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -32.05 66.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.381 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.3 mtp -67.08 -60.19 2.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.218 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.472 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 4.0 m-85 -60.62 -28.47 68.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.734 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -68.2 -38.02 81.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.195 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -77.06 -32.4 56.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.277 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.701 HD21 HD21 ' A' ' 344' ' ' LEU . 0.6 OUTLIER -73.15 -30.32 63.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.49 179.578 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.82 -45.66 57.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.624 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.486 ' O ' HD23 ' D' ' 350' ' ' LEU . 13.5 tp10 -68.98 -32.74 72.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.769 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.46 -31.08 65.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.961 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.512 HD13 ' HB3' ' C' ' 337' ' ' ARG . 17.0 mt -71.46 -40.02 70.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.74 -31.98 73.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.486 HD23 ' O ' ' D' ' 346' ' ' GLU . 2.9 mm? -67.29 -42.3 83.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -60.38 -35.93 76.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -66.57 -34.6 78.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.28 -30.95 54.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -85.39 -32.31 22.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -62.91 145.65 54.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.056 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.474 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.831 0.348 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.43 ' CE1' ' HG3' ' B' ' 333' ' ' ARG . 12.8 m-85 61.26 113.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -135.75 117.28 14.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 2.0 m -81.78 135.97 35.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.742 HD23 HD11 ' A' ' 332' ' ' ILE . 20.3 tp -137.53 107.56 6.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -73.12 93.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.742 HD11 HD23 ' A' ' 330' ' ' LEU . 27.1 mm -75.03 111.17 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.407 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 2.0 ttt180 -91.74 76.54 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.62 124.79 0.75 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 3.0 ptt-85 -60.19 -45.18 94.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -74.39 -44.65 51.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.815 ' HG3' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -57.48 -47.86 80.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.767 179.852 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.773 ' CE1' HD12 ' B' ' 330' ' ' LEU . 10.2 t80 -60.15 -46.36 89.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.355 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -55.33 -33.79 63.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.595 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.531 ' CE ' HD22 ' B' ' 344' ' ' LEU . 2.1 ttp -66.36 -59.04 4.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.285 179.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.453 ' CD1' HD12 ' A' ' 332' ' ' ILE . 3.1 m-85 -63.14 -29.97 71.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.781 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -72.51 -33.66 67.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 0.0 110.202 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -81.25 -31.34 33.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.293 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.825 HD22 HD22 ' D' ' 344' ' ' LEU . 37.2 mt -77.34 -30.52 53.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.537 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -76.74 -39.67 51.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.533 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.617 ' O ' HD12 ' A' ' 350' ' ' LEU . 16.5 tt0 -70.59 -31.73 68.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.683 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.54 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . . . -72.61 -39.49 67.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 344' ' ' LEU . 3.5 mt -67.73 -33.38 74.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.674 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -65.47 -29.98 70.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.799 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.617 HD12 ' O ' ' A' ' 346' ' ' GLU . 0.7 OUTLIER -67.29 -50.52 59.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' A' ' 355' ' ' ALA . 0.1 OUTLIER -59.66 -30.24 68.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.924 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -75.97 -31.11 58.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.17 -37.22 54.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -83.75 -29.52 27.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 351' ' ' LYS . . . -59.41 -30.67 68.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.503 179.962 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.825 0.345 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.407 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 54.3 m-85 -131.67 150.95 51.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.401 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 42.4 m-85 -144.71 102.35 3.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.89 125.79 28.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.773 HD12 ' CE1' ' A' ' 338' ' ' PHE . 2.2 tt -128.29 106.38 8.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -83.22 115.1 21.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -108.49 145.78 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.43 ' HG3' ' CE1' ' A' ' 327' ' ' TYR . 0.2 OUTLIER -99.17 36.11 1.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -144.3 127.12 2.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -31.4 66.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -74.15 -47.72 34.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.45 ' CG ' HD13 ' A' ' 348' ' ' LEU . 0.1 OUTLIER -56.67 -47.93 78.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.771 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.668 ' CE1' HD13 ' A' ' 330' ' ' LEU . 8.9 t80 -59.42 -44.91 92.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.464 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -55.56 -36.45 66.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.61 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -66.65 -58.79 4.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.19 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.415 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 3.9 m-85 -61.5 -27.92 68.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.749 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 6.8 ttt85 -69.25 -35.85 76.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.934 0.397 . . . . 0.0 110.117 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -79.13 -31.44 44.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.196 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.762 ' O ' HD12 ' B' ' 348' ' ' LEU . 0.2 OUTLIER -73.02 -31.93 64.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.439 179.427 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.87 -46.81 50.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.646 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -71.75 -30.89 66.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.732 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.26 -30.2 54.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.992 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.815 HD13 ' HG3' ' A' ' 337' ' ' ARG . 0.6 OUTLIER -74.99 -32.74 61.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.793 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -70.06 -31.26 68.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.2 mt -67.97 -37.88 82.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.802 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -31.57 70.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.791 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.29 -34.89 74.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.64 -30.89 57.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -80.56 -31.54 36.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -116.5 -172.1 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.401 -1.221 . . . . 0.0 112.477 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.804 0.335 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.42 ' CZ ' ' HD2' ' D' ' 333' ' ' ARG . 11.7 m-85 -86.29 152.65 22.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.439 ' HB3' ' CD1' ' D' ' 338' ' ' PHE . 66.6 m-85 -150.03 91.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.56 152.83 44.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.688 HD23 HD11 ' C' ' 332' ' ' ILE . 5.4 tp -156.36 104.82 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.779 ' HG3' HG23 ' D' ' 329' ' ' THR . 5.5 mt-30 -96.81 125.3 41.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.688 HD11 HD23 ' C' ' 330' ' ' LEU . 4.6 mt -127.5 149.41 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.64 33.21 2.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -126.11 138.38 10.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -76.09 -66.14 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.33 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -59.74 -38.37 81.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.657 ' HD2' HD22 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -60.11 -53.15 61.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.558 179.761 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.45 ' CD2' ' CB ' ' D' ' 328' ' ' PHE . 8.3 t80 -62.11 -45.3 94.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.897 179.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -56.64 -31.38 64.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.272 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.403 ' O ' HD12 ' C' ' 344' ' ' LEU . 3.7 ttm -67.32 -61.78 1.75 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.099 179.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.471 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 2.1 m-85 -61.05 -28.06 68.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.804 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -76.41 -41.96 45.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.225 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -75.74 -29.98 59.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.189 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.753 HD21 HD11 ' B' ' 344' ' ' LEU . 0.4 OUTLIER -74.0 -33.93 63.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.562 179.629 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.515 ' OD1' HG23 ' D' ' 332' ' ' ILE . 61.1 t30 -73.23 -43.43 61.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.757 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -74.65 -31.07 61.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.68 -30.71 41.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.615 HD13 ' HD2' ' D' ' 337' ' ' ARG . 15.8 mt -78.13 -28.97 48.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.799 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.7 -30.53 61.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.739 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.5 mt -68.89 -33.83 74.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.786 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -62.91 -33.84 76.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.54 -33.19 74.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.86 -31.07 51.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -83.05 -31.59 27.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -62.15 87.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.495 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.794 0.33 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -130.84 152.92 49.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.45 ' CB ' ' CD2' ' C' ' 338' ' ' PHE . 7.2 m-85 -137.99 123.0 19.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.779 HG23 ' HG3' ' C' ' 331' ' ' GLN . 0.8 OUTLIER -99.15 142.17 30.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.891 HD23 HD11 ' D' ' 332' ' ' ILE . 17.6 tp -139.72 119.75 13.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.64 93.7 5.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.891 HD11 HD23 ' D' ' 330' ' ' LEU . 4.8 mt -98.51 136.53 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.42 ' HD2' ' CZ ' ' C' ' 327' ' ' TYR . 23.2 mtp180 -95.92 69.92 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -165.36 133.26 2.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.485 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 12.4 ptt-85 -76.46 -38.25 55.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.772 0.32 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -76.86 -43.26 36.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.615 ' HD2' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -59.02 -51.4 70.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.678 179.826 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.493 ' CE1' HD13 ' C' ' 330' ' ' LEU . 7.1 t80 -60.62 -43.17 97.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.224 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -56.62 -34.15 66.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.465 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.5 ttp -66.95 -60.74 2.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.163 179.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.447 ' CE2' ' HG3' ' D' ' 337' ' ' ARG . 3.4 m-85 -61.48 -27.41 68.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.703 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -33.01 72.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.107 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -77.11 -33.6 56.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.359 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.825 HD22 HD22 ' A' ' 344' ' ' LEU . 73.9 mt -72.3 -36.01 68.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.544 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -68.91 -41.56 78.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.536 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -66.4 -41.03 89.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.685 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.484 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -74.85 -17.27 60.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.143 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.657 HD22 ' HD2' ' C' ' 337' ' ' ARG . 4.3 tp -84.88 -27.38 26.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.836 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -77.66 -29.04 51.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.268 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.544 ' C ' HD12 ' D' ' 350' ' ' LEU . 2.9 pp -77.35 -34.35 55.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.741 0.305 . . . . 0.0 111.072 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.54 ' HE3' ' HB2' ' A' ' 347' ' ' ALA . 0.8 OUTLIER -74.44 -29.73 61.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.781 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -71.56 -31.14 66.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.58 -31.37 70.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -83.98 -44.69 13.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . 60.39 101.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.525 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.4 ' O ' ' CZ ' ' A' ' 328' ' ' PHE . 1.7 mm-40 . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.862 0.363 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -61.14 150.2 34.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.434 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 31.7 m-85 -132.7 94.55 3.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 18.3 m -79.6 105.33 10.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.631 HD23 HD11 ' A' ' 332' ' ' ILE . 21.8 tp -99.67 111.1 23.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.692 ' HG3' HG23 ' B' ' 329' ' ' THR . 16.0 tt0 -90.31 83.78 5.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.684 HG23 ' OD1' ' B' ' 345' ' ' ASN . 3.7 mp -78.42 144.72 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.404 ' HB3' ' CZ ' ' B' ' 327' ' ' TYR . 0.7 OUTLIER -98.68 32.36 2.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.33 114.2 1.5 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -59.73 -46.72 88.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -70.38 -41.82 72.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.522 ' HD3' HD12 ' B' ' 348' ' ' LEU . 1.4 ttm180 -58.18 -45.32 87.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.75 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.479 ' CE1' HD13 ' B' ' 330' ' ' LEU . 13.3 t80 -59.97 -48.89 79.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.468 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -54.28 -32.92 57.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.55 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.506 ' O ' HD12 ' A' ' 344' ' ' LEU . 6.5 ttm -66.87 -59.14 3.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.273 179.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.418 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 3.8 m-85 -59.62 -28.71 67.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.814 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -37.41 83.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.191 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -77.93 -31.93 51.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.311 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.845 HD23 HD21 ' D' ' 344' ' ' LEU . 2.6 mp -75.44 -30.76 60.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.61 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -74.34 -40.61 62.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.766 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.681 ' O ' HD23 ' A' ' 350' ' ' LEU . 4.3 tt0 -73.01 -34.12 66.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.773 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.64 -32.78 58.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.737 HD13 ' HG2' ' B' ' 337' ' ' ARG . 3.4 mt -74.78 -28.23 60.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.704 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -71.46 -29.47 64.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.767 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.681 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.8 mm? -71.56 -48.18 50.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.552 ' HD2' HD23 ' A' ' 348' ' ' LEU . 2.5 ptpt -67.58 -30.29 69.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -73.06 -31.23 64.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.67 -31.1 69.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -89.87 -34.9 15.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -96.63 -170.65 2.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.066 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.466 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.847 0.356 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.404 ' CZ ' ' HB3' ' A' ' 333' ' ' ARG . 17.1 m-85 -101.64 153.12 20.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -145.54 135.22 23.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.692 HG23 ' HG3' ' A' ' 331' ' ' GLN . 0.8 OUTLIER -103.45 114.05 28.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.98 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 1.045 HD23 HD11 ' B' ' 332' ' ' ILE . 15.7 tp -107.07 97.29 7.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -77.7 102.2 6.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 1.045 HD11 HD23 ' B' ' 330' ' ' LEU . 4.8 mt -113.32 141.5 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.065 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -99.63 36.74 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -127.4 120.98 3.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -71.44 -36.19 71.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -76.35 -51.25 12.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.737 ' HG2' HD13 ' A' ' 348' ' ' LEU . 2.1 mtm105 -56.34 -43.3 78.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.693 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 11.8 t80 -62.04 -47.47 84.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.374 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -55.27 -32.61 62.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.561 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.545 ' O ' HD12 ' B' ' 344' ' ' LEU . 9.4 ttm -66.88 -59.09 3.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.254 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.418 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 4.3 m-85 -60.59 -30.53 69.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.775 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -68.01 -34.14 75.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.974 0.416 . . . . 0.0 110.105 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -81.3 -31.49 33.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.201 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.681 ' CG ' HD21 ' C' ' 344' ' ' LEU . 1.8 mp -77.14 -32.3 56.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.444 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.684 ' OD1' HG23 ' A' ' 332' ' ' ILE . 51.6 t30 -77.27 -40.31 45.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.523 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.78 -29.76 61.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.583 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.96 -31.94 59.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.939 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.522 HD12 ' HD3' ' A' ' 337' ' ' ARG . 13.3 mt -74.3 -37.95 63.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.736 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -72.38 -30.23 64.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.754 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.448 ' HA ' HD22 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -71.27 -32.34 68.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.475 ' O ' ' HB3' ' B' ' 355' ' ' ALA . 23.3 ttmt -66.22 -31.61 72.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -68.06 -32.99 73.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.72 -31.25 72.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -116.1 31.01 6.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' B' ' 351' ' ' LYS . . . -158.0 31.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.378 -1.235 . . . . 0.0 112.468 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.848 0.356 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 60.82 111.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.428 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 21.1 m-85 -121.94 125.78 47.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 8.0 m -82.15 105.23 13.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.987 HD23 HD11 ' C' ' 332' ' ' ILE . 14.3 tp -106.59 116.09 31.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.412 HE21 HG23 ' D' ' 329' ' ' THR . 0.9 OUTLIER -83.33 92.94 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.987 HD11 HD23 ' C' ' 330' ' ' LEU . 24.0 mm -81.88 119.44 31.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -98.42 30.61 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.544 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -137.0 119.96 2.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.435 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -59.89 -44.75 94.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.768 0.318 . . . . 0.0 110.935 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.88 -43.26 62.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.621 ' HG3' HD13 ' D' ' 348' ' ' LEU . 4.4 ttm180 -57.25 -47.64 80.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.743 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.734 ' CE2' HD13 ' D' ' 330' ' ' LEU . 12.3 t80 -59.63 -48.05 83.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.337 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -32.99 59.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.649 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 15.7 ttm -66.75 -58.71 4.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.354 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.423 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.6 m-85 -61.27 -29.8 70.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.859 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -36.48 75.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.968 0.413 . . . . 0.0 110.154 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -79.89 -30.91 40.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.248 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.681 HD21 ' CG ' ' B' ' 344' ' ' LEU . 0.9 OUTLIER -76.55 -29.86 56.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.515 179.604 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -76.17 -41.47 49.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.723 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.689 ' O ' HD23 ' C' ' 350' ' ' LEU . 3.7 mt-10 -74.27 -32.03 62.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.704 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.82 -31.03 51.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.706 HD13 ' HG3' ' D' ' 337' ' ' ARG . 14.8 mt -75.76 -30.96 59.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.745 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -71.24 -30.53 66.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.689 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.7 mm? -69.22 -43.21 74.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -62.27 -31.01 71.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.98 -31.51 68.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.5 -41.7 62.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.48 -31.53 37.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -83.53 -69.55 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.457 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.8 0.333 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 61.37 113.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -134.32 95.27 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.412 HG23 HE21 ' C' ' 331' ' ' GLN . 0.2 OUTLIER -60.4 104.54 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.734 HD13 ' CE2' ' C' ' 338' ' ' PHE . 32.3 tp -108.26 122.63 47.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.12 83.12 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.801 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.543 HD11 HD23 ' D' ' 330' ' ' LEU . 4.6 mt -81.8 142.75 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -104.99 -174.42 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 63.48 122.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 7.5 tpt85 -64.16 -30.12 71.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.73 0.3 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -74.19 -56.21 5.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.706 ' HG3' HD13 ' C' ' 348' ' ' LEU . 1.2 ttm180 -55.5 -42.01 73.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.717 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.428 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 9.1 t80 -63.06 -45.34 92.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.323 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.65 -34.25 64.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.597 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttm -66.67 -58.73 4.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.265 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.501 ' CE1' HG21 ' D' ' 332' ' ' ILE . 2.9 m-85 -63.42 -29.61 70.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.681 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.404 ' HG3' ' CE1' ' D' ' 338' ' ' PHE . 2.3 tmt_? -71.29 -33.98 70.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.97 0.414 . . . . 0.0 110.168 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -81.95 -31.2 31.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.235 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.845 HD21 HD23 ' A' ' 344' ' ' LEU . 12.0 mt -78.35 -29.32 47.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.569 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -78.58 -38.75 39.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.682 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -76.1 -30.25 58.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.638 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.48 ' HB2' ' CE ' ' A' ' 351' ' ' LYS . . . -78.11 -31.53 50.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.714 HD12 ' O ' ' D' ' 344' ' ' LEU . 0.7 OUTLIER -76.27 -33.4 59.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.701 179.845 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -75.91 -26.48 57.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.715 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.18 -37.68 61.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.526 ' HD3' HD23 ' D' ' 348' ' ' LEU . 12.6 ptmm? -68.76 -31.49 70.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.4 -31.17 68.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.06 -31.26 69.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -117.33 29.81 7.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.46 79.45 8.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.038 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.311 -1.272 . . . . 0.0 112.478 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.826 0.346 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.405 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 14.3 m-85 60.12 101.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.429 ' N ' ' CD1' ' A' ' 328' ' ' PHE . 4.2 m-85 -110.92 127.59 55.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 3.8 m -82.23 144.67 30.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.74 HD23 HD11 ' A' ' 332' ' ' ILE . 18.2 tp -147.84 103.47 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -83.91 87.28 7.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.74 HD11 HD23 ' A' ' 330' ' ' LEU . 3.6 mp -89.21 142.87 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -106.11 77.55 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.33 125.77 1.07 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -74.17 -34.78 63.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.763 0.316 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -75.25 -52.63 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.4 ttm105 -56.45 -39.33 72.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.732 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.416 ' CE1' ' HG3' ' A' ' 342' ' ' ARG . 12.1 t80 -63.31 -48.49 77.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.319 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -53.98 -34.49 59.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.638 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.469 ' O ' HD12 ' A' ' 344' ' ' LEU . 8.3 ttm -65.49 -58.38 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.251 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.501 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 3.6 m-85 -60.44 -31.93 70.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.416 ' HG3' ' CE1' ' A' ' 338' ' ' PHE . 0.2 OUTLIER -68.81 -36.22 77.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.963 0.411 . . . . 0.0 110.233 179.491 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -80.27 -29.93 38.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.32 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.714 ' CG ' HD21 ' D' ' 344' ' ' LEU . 1.3 mp -78.47 -32.59 48.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.566 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -78.55 -37.87 41.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.601 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -77.57 -28.77 51.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.605 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.86 -32.28 40.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.583 HD13 ' CD ' ' B' ' 337' ' ' ARG . 3.9 mt -77.78 -31.28 51.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.632 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -75.4 -26.16 58.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.664 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -72.25 -39.61 68.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -66.59 -29.29 69.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -69.94 -31.83 69.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.48 -31.3 60.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -74.57 -33.13 62.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -108.4 79.99 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.376 -1.236 . . . . 0.0 112.493 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.791 0.329 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 60.59 111.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 6.3 m-85 -124.95 128.68 48.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.81 132.08 41.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 23.3 tp -141.01 113.45 8.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -92.68 87.69 5.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.55 ' H ' HD12 ' B' ' 332' ' ' ILE . 3.6 mp -72.42 137.14 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.405 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -97.27 79.0 2.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.87 127.78 1.0 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.537 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -61.62 -58.09 9.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -61.93 -35.89 79.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.583 ' CD ' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -61.23 -54.56 42.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.558 179.874 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.564 ' CE2' HD13 ' A' ' 330' ' ' LEU . 6.9 t80 -60.95 -43.39 98.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.135 179.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -32.11 67.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.414 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.4 ttm -67.63 -60.35 2.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.235 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.501 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 3.5 m-85 -61.13 -26.84 67.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.736 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -69.97 -35.82 74.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.271 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.0 -31.92 39.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.273 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.794 ' O ' HD23 ' B' ' 348' ' ' LEU . 0.4 OUTLIER -76.43 -30.57 57.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.5 179.527 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -75.15 -40.67 59.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.667 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.652 ' O ' HD23 ' B' ' 350' ' ' LEU . 3.7 tt0 -71.21 -33.73 70.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.707 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.0 -34.25 68.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.794 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.5 mm? -69.58 -38.38 77.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.649 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -63.55 -29.99 71.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.782 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.652 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.8 mm? -68.44 -50.12 54.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.52 ' HD2' HD13 ' B' ' 348' ' ' LEU . 17.8 ptpt -61.54 -30.91 70.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -67.09 -31.95 72.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.69 -31.52 46.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.075 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -86.08 -32.28 21.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -105.75 -172.46 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.546 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.822 0.344 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 62.9 144.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.444 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 17.1 m-85 -153.31 103.82 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.9 m -61.28 142.85 56.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.437 HD13 ' HD2' ' D' ' 342' ' ' ARG . 17.5 tp -147.79 105.66 3.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -85.48 83.68 7.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.554 ' H ' HD12 ' C' ' 332' ' ' ILE . 3.6 mp -69.16 128.33 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.444 ' CG ' ' CE1' ' D' ' 327' ' ' TYR . 0.0 OUTLIER -99.98 74.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 169.09 119.77 0.5 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.444 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.0 ptm85 -60.25 -35.19 74.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -74.3 -48.93 25.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -57.06 -42.33 80.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.722 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -61.56 -48.17 82.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.444 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -54.75 -33.22 60.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.591 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.9 ttm -66.71 -58.5 4.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.339 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.63 -30.0 69.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.737 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -35.63 79.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.177 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -79.57 -31.49 41.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.289 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.796 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.9 OUTLIER -75.21 -30.0 60.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.588 179.537 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -75.68 -42.91 49.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.71 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.57 -30.17 62.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.72 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.06 -30.79 49.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.03 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.796 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.5 mm? -76.48 -31.91 58.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.754 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.76 -31.12 64.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.817 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 mt -68.97 -36.53 78.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -62.66 -32.49 73.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.5 -31.49 72.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.12 -31.79 73.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -77.65 -53.71 7.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . 59.59 94.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.365 -1.241 . . . . 0.0 112.538 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.801 0.334 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.444 ' CE1' ' CG ' ' C' ' 333' ' ' ARG . 43.7 m-85 -84.16 132.63 34.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -121.03 103.05 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.83 134.21 49.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.596 HD23 HD11 ' D' ' 332' ' ' ILE . 10.3 tp -141.82 115.41 9.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -90.1 132.18 35.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.596 HD11 HD23 ' D' ' 330' ' ' LEU . 3.8 mp -137.26 129.96 43.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 21.0 ttp85 -72.68 -31.13 64.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.442 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -61.9 116.74 9.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.514 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 37.8 ttp85 -74.02 -35.77 64.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.332 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -73.03 -47.59 43.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.7 mtm105 -58.71 -41.25 85.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.689 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.444 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 11.6 t80 -61.45 -47.12 87.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.482 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -54.33 -36.48 63.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.68 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.5 ttm -65.99 -57.85 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.277 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.38 -29.88 70.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.684 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.437 ' HD2' HD13 ' C' ' 330' ' ' LEU . 1.7 tpm_? -69.06 -34.81 75.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.204 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -79.84 -31.54 40.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.288 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.808 ' O ' HD23 ' D' ' 348' ' ' LEU . 0.5 OUTLIER -75.38 -30.72 60.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.562 179.586 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.417 ' OD1' HG23 ' C' ' 332' ' ' ILE . 42.0 t30 -75.45 -42.04 54.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.691 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -71.82 -30.33 65.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.642 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.79 -34.58 64.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.03 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.808 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.6 mm? -71.27 -37.84 71.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.774 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -70.67 -30.44 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -38.77 69.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -66.19 -31.46 72.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.98 -36.17 79.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.21 -31.53 72.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.064 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -81.45 -33.15 32.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -130.5 81.24 1.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.051 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.511 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.797 0.332 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 62.7 146.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.428 ' HB2' ' CD2' ' B' ' 338' ' ' PHE . 15.6 m-85 -153.17 98.95 2.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.414 HG23 ' HG3' ' B' ' 331' ' ' GLN . 0.2 OUTLIER -65.6 134.66 53.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.809 HD13 ' CE2' ' B' ' 338' ' ' PHE . 6.9 tp -141.48 124.09 15.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -104.5 140.9 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.592 HG23 ' CZ ' ' A' ' 337' ' ' ARG . 3.9 mp -133.5 135.85 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.24 35.17 2.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.408 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -145.32 139.81 8.61 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -33.57 48.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.766 0.317 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.39 -34.91 31.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.722 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.635 ' CD ' HD13 ' B' ' 348' ' ' LEU . 0.1 OUTLIER -65.87 -50.63 63.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.471 179.671 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.419 ' CE2' HD22 ' B' ' 330' ' ' LEU . 5.9 t80 -64.33 -42.54 96.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.927 179.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -58.42 -32.34 68.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.333 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 3.8 ttp -66.98 -60.03 2.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.248 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.465 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 3.4 m-85 -62.13 -28.88 69.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.757 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -71.37 -37.57 71.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.922 0.392 . . . . 0.0 110.121 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -78.11 -31.23 49.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.235 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.816 ' O ' HD23 ' A' ' 348' ' ' LEU . 62.1 mt -75.04 -30.45 61.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.587 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.684 ' ND2' HD12 ' B' ' 332' ' ' ILE . 8.2 m-20 -74.53 -42.51 58.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.714 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -71.48 -32.41 68.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.23 -32.0 61.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.047 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.816 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.5 mm? -73.32 -33.68 65.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.804 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -68.49 -31.59 70.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 mt -70.25 -32.32 70.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -65.69 -31.76 72.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.819 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.58 -31.95 72.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.75 -31.24 71.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -83.01 -46.17 13.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . 60.32 78.94 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.468 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.807 0.337 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 61.98 116.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -129.89 106.06 8.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.49 152.75 42.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.479 HD23 HD11 ' B' ' 332' ' ' ILE . 12.1 tp -157.21 121.67 4.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.414 ' HG3' HG23 ' A' ' 329' ' ' THR . 3.1 mt-30 -99.87 91.0 4.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.684 HD12 ' ND2' ' A' ' 345' ' ' ASN . 26.4 mm -78.89 137.71 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.9 30.63 4.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.524 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -123.98 136.66 10.35 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.428 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -75.81 -67.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -61.47 -40.97 96.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.813 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.492 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -59.23 -51.14 71.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.657 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.809 ' CE2' HD13 ' A' ' 330' ' ' LEU . 8.7 t80 -61.6 -45.19 95.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.132 179.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.29 -32.24 64.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.407 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -67.01 -61.13 2.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.164 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.492 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 5.3 m-85 -59.55 -28.42 67.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.602 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.0 ttp85 -65.94 -35.46 80.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.134 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.1 -32.55 56.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.346 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.699 HD21 HD11 ' C' ' 344' ' ' LEU . 2.5 mp -73.15 -33.01 65.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.521 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.458 ' ND2' HD21 ' A' ' 330' ' ' LEU . 36.3 m-80 -71.49 -42.92 67.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.762 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -71.58 -31.15 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.493 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -76.23 -33.6 59.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.039 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.635 HD13 ' CD ' ' A' ' 337' ' ' ARG . 0.9 OUTLIER -73.94 -30.71 62.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -71.36 -30.57 66.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.773 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 mt -66.94 -38.65 86.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.807 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.689 ' CE ' ' HB2' ' C' ' 347' ' ' ALA . 49.6 mttt -59.9 -31.17 69.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -74.09 -34.37 63.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.36 -37.92 63.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -31.47 40.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -76.55 171.7 14.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.506 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.821 0.343 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -135.55 152.24 51.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -150.44 88.6 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 2.4 m -60.9 126.34 27.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 1.007 HD23 HD11 ' C' ' 332' ' ' ILE . 9.7 tp -121.07 110.85 16.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.628 ' HG3' HG22 ' D' ' 329' ' ' THR . 9.7 mt-30 -84.15 115.5 22.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 1.007 HD11 HD23 ' C' ' 330' ' ' LEU . 4.7 mt -124.6 130.07 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.043 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.41 ' HB3' ' CE2' ' D' ' 327' ' ' TYR . 13.0 ptt180 -95.86 78.28 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.93 128.32 1.28 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.04 -33.17 63.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.11 -54.01 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -56.32 -40.92 75.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.684 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.738 ' CE1' HD12 ' D' ' 330' ' ' LEU . 11.3 t80 -63.35 -47.01 83.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.384 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -55.6 -32.81 63.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.7 ttm -67.3 -58.51 4.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.361 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.554 ' CD2' HD13 ' C' ' 332' ' ' ILE . 3.1 m-85 -61.18 -29.15 69.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.741 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -68.28 -34.12 75.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.212 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -80.16 -32.48 38.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.279 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.699 HD11 HD21 ' B' ' 344' ' ' LEU . 0.7 OUTLIER -76.67 -30.74 56.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.551 179.629 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.439 ' OD1' HG23 ' D' ' 332' ' ' ILE . 4.6 t30 -75.78 -38.92 57.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.661 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -71.57 -31.9 67.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.73 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.689 ' HB2' ' CE ' ' B' ' 351' ' ' LYS . . . -72.98 -37.12 67.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.759 HD13 ' HB3' ' D' ' 337' ' ' ARG . 1.9 mt -69.64 -35.02 74.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.814 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -72.87 -30.65 64.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.04 -32.93 69.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -66.34 -31.47 72.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -65.05 -32.31 73.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.09 -38.69 92.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -72.23 -32.86 67.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -108.98 84.73 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.521 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.866 0.365 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.41 ' CE2' ' HB3' ' C' ' 333' ' ' ARG . 50.5 m-85 -77.53 146.84 36.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -137.12 97.84 3.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.628 HG22 ' HG3' ' C' ' 331' ' ' GLN . 0.7 OUTLIER -70.96 109.23 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.738 HD12 ' CE1' ' C' ' 338' ' ' PHE . 6.9 tt -103.05 100.98 10.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -63.65 111.41 2.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.439 HG23 ' OD1' ' C' ' 345' ' ' ASN . 4.5 mt -112.57 127.34 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.3 ptt85 -106.53 83.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 168.84 135.05 1.82 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -32.98 58.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.754 0.311 . . . . 0.0 110.962 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -74.88 -54.52 7.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.759 ' HB3' HD13 ' C' ' 348' ' ' LEU . 14.0 ptp180 -56.14 -47.35 78.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.744 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -59.87 -40.42 88.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.312 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -57.21 -39.89 76.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.673 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.434 ' O ' HD12 ' D' ' 344' ' ' LEU . 4.2 mtm -63.51 -55.4 24.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.39 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -59.34 -32.58 70.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.765 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -64.34 -39.6 94.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.189 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -77.97 -30.73 50.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.243 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.617 ' CD2' HD21 ' A' ' 344' ' ' LEU . 1.8 mp -76.97 -31.87 56.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.551 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -73.86 -38.36 64.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.697 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.555 ' O ' HD12 ' D' ' 350' ' ' LEU . 1.5 tp10 -75.3 -30.24 60.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.737 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.36 -28.55 56.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.997 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.49 HD23 ' O ' ' D' ' 344' ' ' LEU . 2.3 mm? -76.8 -40.06 49.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -28.7 61.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.816 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.555 HD12 ' O ' ' D' ' 346' ' ' GLU . 2.8 mt -76.08 -30.75 58.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.793 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -71.01 -30.97 67.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.2 -31.56 64.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.1 -41.42 61.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.464 ' OE1' ' HB2' ' D' ' 355' ' ' ALA . 0.0 OUTLIER -78.12 -31.3 49.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . 0.464 ' HB2' ' OE1' ' D' ' 354' ' ' GLN . . . -118.38 37.0 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.339 -1.256 . . . . 0.0 112.488 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.84 0.352 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -87.35 152.92 21.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -143.82 102.16 3.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 7.4 m -64.09 150.82 44.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.772 ' HG ' HD11 ' A' ' 332' ' ' ILE . 13.6 tp -146.23 106.14 3.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -105.93 118.53 36.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.772 HD11 ' HG ' ' A' ' 330' ' ' LEU . 3.0 mp -125.64 152.97 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -103.56 33.31 3.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -128.52 134.03 7.92 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.484 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.66 -47.96 24.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.347 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -69.2 -39.72 78.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.467 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 0.9 OUTLIER -59.79 -52.95 63.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.642 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.445 ' CD2' ' CB ' ' B' ' 328' ' ' PHE . 7.8 t80 -61.33 -44.27 97.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.016 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -56.65 -32.48 65.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.379 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.6 ttp -66.79 -60.86 2.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.158 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.467 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 6.0 m-85 -59.04 -27.91 65.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -35.98 80.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.91 0.386 . . . . 0.0 110.122 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -76.85 -36.97 56.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.271 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.773 ' O ' HD23 ' A' ' 348' ' ' LEU . 0.5 OUTLIER -70.51 -28.84 65.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.363 179.421 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -72.06 -47.37 52.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.719 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -69.65 -31.32 69.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.805 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.44 -31.05 57.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.773 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.2 mm? -74.88 -31.37 61.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -72.01 -30.97 65.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.75 -40.21 79.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -64.92 -40.93 95.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -63.92 -31.38 72.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.32 87.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.466 ' NE2' HD22 ' D' ' 350' ' ' LEU . 1.3 mt-30 -72.17 -46.08 57.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -80.13 -68.26 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.357 -1.246 . . . . 0.0 112.529 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.809 0.338 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -89.49 150.3 22.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.445 ' CB ' ' CD2' ' A' ' 338' ' ' PHE . 20.0 m-85 -137.96 99.75 3.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.91 152.94 38.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 21.7 tp -157.98 112.44 2.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.595 ' C ' HD12 ' B' ' 332' ' ' ILE . 9.0 mp0 -96.28 145.83 25.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.595 HD12 ' C ' ' B' ' 331' ' ' GLN . 3.4 mp -144.48 149.62 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -102.24 35.83 2.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -130.41 137.32 9.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -74.41 -60.76 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -59.58 -34.56 72.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.501 ' HG2' HG21 ' B' ' 332' ' ' ILE . 0.0 OUTLIER -61.28 -54.45 43.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.642 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -60.76 -43.23 98.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.089 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.57 -32.33 67.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.324 179.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.428 ' O ' HD12 ' B' ' 344' ' ' LEU . 0.6 OUTLIER -67.84 -61.31 1.93 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.192 179.339 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.47 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 2.0 m-85 -62.92 -24.81 68.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.723 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.13 -39.1 60.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.23 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -75.93 -33.09 59.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.423 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.692 ' CG ' HD21 ' C' ' 344' ' ' LEU . 1.5 mp -74.22 -31.42 62.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.478 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.474 ' ND2' HD21 ' A' ' 330' ' ' LEU . 12.5 m-20 -71.41 -41.47 69.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.747 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.6 -32.79 66.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.66 -31.95 57.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.576 HD23 ' O ' ' B' ' 344' ' ' LEU . 2.9 mm? -74.77 -30.39 61.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.783 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -71.51 -31.07 66.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -67.22 -37.73 84.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -60.71 -31.94 71.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.54 -36.55 78.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.61 66.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -72.7 -31.7 65.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.98 141.04 29.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.473 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.833 0.349 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 60.24 108.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -111.88 104.68 12.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.432 ' CG2' HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -65.1 144.24 57.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.964 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.913 HD23 HD11 ' C' ' 332' ' ' ILE . 18.6 tp -144.33 97.52 3.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -77.75 87.87 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.913 HD11 HD23 ' C' ' 330' ' ' LEU . 21.7 mt -92.32 135.74 26.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.069 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -101.6 31.35 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.546 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -131.2 108.16 0.79 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.525 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -32.14 70.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -76.28 -54.07 7.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttm105 -56.64 -40.21 75.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.64 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -62.69 -47.02 85.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.365 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.6 -34.37 61.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.682 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.8 mtm -66.46 -58.68 4.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.301 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -60.29 -29.1 68.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.727 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -36.1 80.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.21 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -79.89 -32.2 40.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.273 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.692 HD21 ' CG ' ' B' ' 344' ' ' LEU . 1.5 mt -76.28 -28.73 57.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.507 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -76.39 -41.79 46.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.714 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -74.25 -31.97 62.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.709 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.92 -30.69 50.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.965 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.69 HD13 ' HG3' ' D' ' 337' ' ' ARG . 11.7 mt -76.33 -30.79 57.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.781 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -72.42 -31.04 65.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.8 mt -67.72 -34.27 76.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -61.96 -35.55 78.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -32.01 71.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.85 -43.05 63.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -75.26 -31.56 60.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.16 -31.19 34.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.038 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.367 -1.241 . . . . 0.0 112.506 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.811 0.338 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 63.39 128.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.948 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -141.87 104.78 4.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.432 HG22 ' CG2' ' C' ' 329' ' ' THR . 0.2 OUTLIER -66.15 127.81 33.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 37.7 tp -125.96 118.57 25.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -93.0 87.02 5.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.569 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.9 mp -80.66 116.45 24.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.7 79.41 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 167.29 131.26 1.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -32.88 61.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -75.86 -50.03 16.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.69 ' HG3' HD13 ' C' ' 348' ' ' LEU . 4.6 ttm180 -56.87 -45.23 82.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.668 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.591 ' CE1' HD13 ' C' ' 330' ' ' LEU . 9.9 t80 -60.81 -45.91 92.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.337 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.91 -34.41 63.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.632 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.54 -59.34 3.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.284 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.54 -28.54 68.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.706 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -67.99 -33.79 75.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.184 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.51 -32.26 36.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.272 179.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.831 ' O ' HD23 ' D' ' 348' ' ' LEU . 0.7 OUTLIER -76.13 -32.3 59.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.438 179.541 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -74.18 -40.38 62.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.713 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -72.79 -32.08 65.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.711 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.53 -31.28 63.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.967 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.831 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.5 mm? -72.83 -40.28 65.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.748 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -66.71 -30.13 70.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.466 HD22 ' NE2' ' A' ' 354' ' ' GLN . 2.8 mt -72.75 -45.4 58.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.773 ' HD3' HD13 ' D' ' 348' ' ' LEU . 5.7 ptmm? -70.25 -30.73 67.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -75.78 -30.98 59.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.84 -31.11 61.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -85.89 -40.63 15.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -101.56 94.16 5.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.392 -1.226 . . . . 0.0 112.48 179.95 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 1.6 mm-40 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.814 0.34 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -104.61 134.56 47.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 326' ' ' GLU . 7.7 m-85 -129.52 107.97 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 6.0 m -77.75 146.2 36.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.546 HD12 ' CE1' ' B' ' 338' ' ' PHE . 1.2 tt -148.29 97.43 2.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -75.89 106.14 7.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.494 HG22 ' H ' ' A' ' 334' ' ' GLY . 3.4 mp -99.91 138.39 24.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.145 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -99.46 31.04 3.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.494 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -147.63 127.11 2.54 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 10.2 ttt85 -70.39 -36.02 73.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -67.11 -47.31 71.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.692 ' HG3' HD13 ' B' ' 348' ' ' LEU . 0.1 OUTLIER -56.93 -47.66 80.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.692 179.905 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.436 ' CE2' ' HD3' ' A' ' 342' ' ' ARG . 8.5 t80 -60.01 -45.46 92.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.358 179.683 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -55.35 -34.36 64.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.615 179.723 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.3 ttp -66.92 -59.2 3.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.257 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.428 ' CD2' ' CD2' ' B' ' 341' ' ' PHE . 3.7 m-85 -60.47 -27.45 67.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.705 179.557 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.436 ' HD3' ' CE2' ' A' ' 338' ' ' PHE . 9.8 tpt85 -68.02 -37.49 81.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.964 0.411 . . . . 0.0 110.113 179.374 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -76.94 -32.69 57.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.342 179.462 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.74 HD21 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -73.78 -31.91 63.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.469 179.551 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -71.37 -43.07 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.682 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -69.68 -37.47 76.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.766 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.38 -30.08 65.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 179.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 344' ' ' LEU . 6.4 mt -71.79 -37.09 70.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.809 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -31.82 71.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 mt -66.85 -35.49 80.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -60.86 -37.71 83.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.76 -31.64 71.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.03 -32.99 65.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -69.78 -31.62 69.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -100.81 154.56 18.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.325 -1.264 . . . . 0.0 112.466 -179.94 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.835 0.35 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 63.39 135.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -150.33 124.44 9.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 10.6 m -90.43 108.96 20.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 33.1 tp -103.95 111.11 23.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -96.79 105.0 17.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.506 HG22 ' H ' ' B' ' 334' ' ' GLY . 3.7 mt -103.96 139.59 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -98.2 30.1 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.506 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -128.71 129.63 6.25 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.366 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 10.7 ttm-85 -77.8 -51.1 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.742 0.306 . . . . 0.0 111.143 -179.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -60.16 -50.76 72.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.078 -179.806 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -60.26 -46.19 90.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.552 179.803 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.546 ' CE1' HD12 ' A' ' 330' ' ' LEU . 3.8 t80 -60.61 -39.57 88.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.293 179.539 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.34 -40.1 77.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.756 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.7 mtm -63.44 -55.96 20.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.39 179.583 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.428 ' CD2' ' CD2' ' A' ' 341' ' ' PHE . 4.0 m-85 -59.59 -31.13 69.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.786 179.771 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -37.97 88.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.944 0.402 . . . . 0.0 110.26 179.496 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -79.19 -30.68 43.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.202 179.267 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.655 ' O ' HD12 ' B' ' 348' ' ' LEU . 0.2 OUTLIER -76.42 -31.57 57.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.474 179.582 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -74.82 -41.34 60.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.656 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.659 ' OE1' HD23 ' B' ' 350' ' ' LEU . 3.1 tm-20 -72.5 -32.69 66.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.767 179.82 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.853 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -75.32 -31.84 60.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.953 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.692 HD13 ' HG3' ' A' ' 337' ' ' ARG . 0.8 OUTLIER -72.84 -34.85 67.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.661 179.82 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -66.67 -31.34 71.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.808 179.877 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.659 HD23 ' OE1' ' B' ' 346' ' ' GLU . 1.8 mm? -72.85 -42.6 63.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.787 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -68.58 -31.3 70.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -70.88 -31.01 67.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.28 -43.67 66.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -75.63 -30.14 59.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -125.3 -69.47 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.115 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.407 -1.219 . . . . 0.0 112.506 179.978 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.832 0.348 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 60.89 112.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -128.15 110.55 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.636 ' CG2' HG22 ' D' ' 329' ' ' THR . 4.5 m -98.36 134.08 41.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.697 HD23 HD11 ' C' ' 332' ' ' ILE . 16.0 tp -123.81 110.07 14.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.412 ' HG3' HG23 ' D' ' 329' ' ' THR . 5.7 mp0 -88.93 85.88 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.697 HD11 HD23 ' C' ' 330' ' ' LEU . 4.2 mt -83.03 138.07 19.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.065 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 9.0 ptt180 -100.11 36.7 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -135.16 116.35 1.54 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.442 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.95 -35.11 74.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -78.84 -47.24 17.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.678 ' HD3' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -57.67 -49.58 76.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.719 179.736 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -61.88 -44.24 97.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.103 179.469 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -56.65 -32.17 65.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.389 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -61.71 1.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.993 179.31 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.49 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 6.7 m-85 -58.35 -28.51 65.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.75 179.428 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -65.88 -39.58 90.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.93 0.395 . . . . 0.0 110.121 179.288 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -75.6 -33.42 60.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.22 179.353 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.608 HD11 HD11 ' B' ' 344' ' ' LEU . 0.3 OUTLIER -72.04 -30.47 65.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.401 179.477 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.8 -46.8 62.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.595 179.729 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.407 ' O ' HD12 ' C' ' 350' ' ' LEU . 0.0 OUTLIER -70.77 -24.88 62.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.898 179.818 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.853 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -78.25 -30.94 48.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.97 179.877 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -75.87 -40.66 54.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.701 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.03 -28.46 64.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.745 179.755 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.407 HD12 ' O ' ' C' ' 346' ' ' GLU . 5.7 mt -71.21 -31.61 67.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.757 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.448 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 6.3 mttp -64.37 -35.76 81.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.81 -31.18 69.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.88 -34.72 73.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -110.93 30.9 6.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -149.62 176.96 10.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.521 -179.969 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.81 0.338 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -78.03 143.09 37.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -133.96 130.67 38.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.636 HG22 ' CG2' ' C' ' 329' ' ' THR . 0.2 OUTLIER -102.95 111.79 24.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 39.7 tp -105.81 89.36 3.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -72.66 115.83 12.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.456 HG22 ' H ' ' D' ' 334' ' ' GLY . 22.9 mt -124.38 139.14 51.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ptp85 -98.52 30.94 3.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.456 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -128.3 119.64 3.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.413 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -65.38 -47.58 75.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.55 -45.43 90.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.487 ' HG3' ' CE2' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -58.3 -50.1 74.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.695 179.891 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -62.14 -43.79 98.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.143 179.425 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -56.85 -32.59 65.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.389 179.476 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.539 ' O ' HD12 ' D' ' 344' ' ' LEU . 9.4 ttm -67.19 -61.42 1.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.15 179.294 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.487 ' CE2' ' HG3' ' D' ' 337' ' ' ARG . 4.7 m-85 -60.35 -26.8 66.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.772 179.532 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -69.57 -33.29 72.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.241 179.415 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -79.88 -32.57 40.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.412 179.461 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.74 HD21 HD21 ' A' ' 344' ' ' LEU . 3.6 mp -76.66 -30.23 56.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.696 179.67 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -77.12 -37.74 53.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.765 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -74.46 -29.05 61.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.417 ' HA ' ' CD2' ' D' ' 350' ' ' LEU . . . -82.15 -28.86 31.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.042 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.678 HD13 ' HD3' ' C' ' 337' ' ' ARG . 9.8 mt -81.32 -25.44 36.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.909 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -81.62 -30.82 32.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.071 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.697 HD12 ' N ' ' D' ' 351' ' ' LYS . 4.3 pp -79.3 -25.41 42.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.895 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.697 ' N ' HD12 ' D' ' 350' ' ' LEU . 17.9 ttmt -78.25 -30.17 48.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.837 179.879 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.67 -30.95 46.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.72 -32.5 46.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -82.15 -31.09 30.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -104.93 127.62 52.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.52 -179.971 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.794 0.331 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 60.62 111.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 328' ' ' PHE . 4.7 m-85 -125.21 105.11 8.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.54 152.86 24.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.857 HD23 HD11 ' A' ' 332' ' ' ILE . 17.3 tp -155.88 117.65 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -103.05 83.8 2.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.857 HD11 HD23 ' A' ' 330' ' ' LEU . 3.8 mp -84.56 138.03 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 8.2 ptt85 -95.97 61.08 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -159.49 107.4 0.32 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.422 ' CD ' ' CZ ' ' B' ' 328' ' ' PHE . 15.7 tpt85 -60.39 -49.78 76.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.88 -46.68 83.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.505 ' CG ' HD13 ' B' ' 348' ' ' LEU . 5.1 ttm180 -57.11 -43.91 82.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.799 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.47 ' CE2' HD22 ' B' ' 330' ' ' LEU . 11.7 t80 -60.32 -47.26 86.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.413 179.752 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -54.2 -35.24 62.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.633 179.755 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -65.44 -58.85 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.224 179.478 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.441 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 4.9 m-85 -59.72 -30.52 68.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.946 179.756 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -68.69 -36.89 79.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.93 0.395 . . . . 0.0 110.242 179.488 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.93 -29.36 39.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.217 179.306 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.58 HD21 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -76.82 -31.09 56.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.646 179.582 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -76.28 -41.1 49.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.764 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -75.88 -29.95 58.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.732 179.802 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.58 -30.72 36.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.011 179.78 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.739 HD12 ' HD2' ' B' ' 337' ' ' ARG . 16.3 mt -79.39 -27.3 41.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 179.801 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -77.46 -28.4 52.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.77 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 5.8 mt -73.76 -38.88 64.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -66.38 -30.51 70.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.53 -31.79 73.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.887 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.47 -31.04 60.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.51 -33.42 60.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -120.59 30.97 6.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.522 179.963 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.841 0.353 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 60.34 109.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.422 ' CZ ' ' CD ' ' A' ' 335' ' ' ARG . 15.5 m-85 -132.11 136.96 47.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.95 148.24 31.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.471 ' CD2' HD11 ' B' ' 332' ' ' ILE . 32.1 tp -155.42 113.17 3.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -89.32 98.16 11.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.471 HD11 ' CD2' ' B' ' 330' ' ' LEU . 25.7 mm -84.86 118.02 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -91.07 62.12 4.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -174.5 126.82 1.23 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.86 -40.87 83.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -76.17 -45.65 32.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.739 ' HD2' HD12 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -58.56 -51.17 71.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 179.801 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.665 ' CE2' HD13 ' A' ' 330' ' ' LEU . 6.3 t80 -62.73 -42.97 99.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.079 179.346 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -57.66 -32.61 67.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.414 179.485 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.15 -60.62 2.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.173 179.342 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.492 ' HA ' HD12 ' B' ' 344' ' ' LEU . 5.3 m-85 -59.12 -27.08 65.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.798 179.556 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 26.9 ttt-85 -67.37 -39.24 85.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.198 179.371 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -77.66 -30.98 52.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.241 179.314 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.674 ' O ' HD12 ' B' ' 348' ' ' LEU . 9.8 mt -74.5 -30.27 61.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.515 179.554 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -73.86 -44.48 55.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.721 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -72.85 -30.54 64.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.708 179.779 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.43 -30.47 47.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.008 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.736 HD23 ' HD3' ' B' ' 351' ' ' LYS . 1.4 mt -77.1 -29.66 54.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.917 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.65 -29.43 61.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.831 179.855 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 11.8 mt -72.42 -41.38 66.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.736 ' HD3' HD23 ' B' ' 348' ' ' LEU . 6.8 ptmm? -64.54 -30.47 71.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.739 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.51 -33.05 74.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 179.887 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.57 -30.64 69.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.045 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -110.99 28.47 8.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.958 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.35 109.34 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.376 -1.235 . . . . 0.0 112.504 179.996 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . 0.436 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 14.6 mt-10 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.841 0.353 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -95.98 109.29 21.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.436 ' CZ ' ' HB3' ' C' ' 326' ' ' GLU . 25.3 m-85 -98.27 100.36 11.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.851 HG23 ' HG3' ' D' ' 331' ' ' GLN . 0.2 OUTLIER -70.81 139.55 50.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.969 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.831 HD23 HD11 ' C' ' 332' ' ' ILE . 13.5 tp -136.24 94.41 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -71.32 84.14 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.831 HD11 HD23 ' C' ' 330' ' ' LEU . 4.7 mt -89.08 134.29 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -96.85 40.89 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.16 116.48 1.47 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.458 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -65.17 -37.32 87.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.51 -47.24 34.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.747 ' CG ' HD13 ' D' ' 348' ' ' LEU . 6.6 mtm180 -56.57 -47.65 79.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.723 179.868 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -59.47 -46.21 89.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.414 179.61 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -54.8 -34.34 62.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.625 179.671 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.599 ' CE ' HD11 ' D' ' 348' ' ' LEU . 4.7 mtm -66.41 -59.22 3.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.268 179.442 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.423 ' HA ' HD12 ' C' ' 344' ' ' LEU . 5.3 m-85 -59.73 -28.82 67.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.757 179.638 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 11.6 ttp85 -66.81 -35.46 80.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.952 0.406 . . . . 0.0 110.212 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -80.58 -31.56 36.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.287 179.351 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.644 ' O ' HD12 ' C' ' 348' ' ' LEU . 13.7 mt -76.93 -29.07 55.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.572 179.509 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -76.92 -41.18 44.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.687 179.827 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.574 ' O ' HD12 ' C' ' 350' ' ' LEU . 1.6 tt0 -74.73 -30.42 61.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.757 179.839 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.496 ' HB2' ' HD2' ' B' ' 351' ' ' LYS . . . -79.08 -30.43 43.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.044 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.644 HD12 ' O ' ' C' ' 344' ' ' LEU . 2.6 mt -79.14 -28.75 42.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -80.94 -30.49 35.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.757 179.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.574 HD12 ' O ' ' C' ' 346' ' ' GLU . 2.4 mt -79.43 -33.42 42.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 179.818 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -28.81 55.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 179.845 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.11 -30.95 58.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.93 65.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.037 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -75.89 -44.79 38.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -96.91 112.9 24.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.501 -179.985 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.771 0.32 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 60.23 109.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -128.04 111.26 13.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 4.3 m -85.99 108.13 18.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.585 HD22 HG13 ' D' ' 332' ' ' ILE . 1.4 tt -108.86 110.54 21.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.851 ' HG3' HG23 ' C' ' 329' ' ' THR . 4.4 mt-30 -83.51 84.52 7.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.585 HG13 HD22 ' D' ' 330' ' ' LEU . 3.6 mp -70.26 127.48 32.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -99.81 75.17 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.23 139.84 4.1 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 10.0 tpt85 -75.38 -56.48 4.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.762 0.315 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -68.4 -42.97 78.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.505 ' CG ' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -57.84 -49.31 77.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.71 179.861 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.434 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 10.2 t80 -59.58 -46.27 89.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.337 179.603 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.43 -34.14 64.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.638 179.665 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.1 ttm -66.29 -58.38 5.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.296 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.417 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 3.3 m-85 -60.56 -29.94 69.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.797 179.692 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -68.34 -38.25 81.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.194 179.446 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -77.49 -32.23 54.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.31 179.334 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.682 ' O ' HD12 ' D' ' 348' ' ' LEU . 79.6 mt -74.27 -30.63 62.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.496 179.558 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.551 ' OD1' HG23 ' C' ' 332' ' ' ILE . 1.4 t30 -72.7 -43.88 62.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.679 179.679 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -71.2 -36.25 71.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.775 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.05 -26.58 59.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.747 HD13 ' CG ' ' C' ' 337' ' ' ARG . 1.5 mt -75.39 -34.97 61.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.56 -26.63 65.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.974 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 8.0 mt -71.79 -46.02 59.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.989 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -62.94 -29.71 71.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.11 -31.7 72.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.55 -31.13 70.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -77.52 -39.85 44.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -93.37 177.95 5.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.448 -179.992 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.851 0.358 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.426 ' CE2' ' HG3' ' B' ' 333' ' ' ARG . 5.8 m-85 61.21 112.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -123.65 97.93 5.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.41 HG23 ' HG3' ' B' ' 331' ' ' GLN . 0.2 OUTLIER -65.42 128.05 34.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.438 ' O ' HD12 ' A' ' 332' ' ' ILE . 9.2 tp -131.94 114.2 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.469 ' HG3' HG23 ' B' ' 329' ' ' THR . 2.8 mp0 -81.45 134.09 35.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.438 HD12 ' O ' ' A' ' 330' ' ' LEU . 3.5 mp -136.77 135.27 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.48 33.31 2.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.432 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -136.51 120.63 2.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -70.6 -40.03 73.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.12 -57.75 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.472 ' HB3' HD13 ' B' ' 348' ' ' LEU . 12.8 ptp180 -55.32 -46.64 76.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.72 179.847 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.523 ' CE2' HD12 ' B' ' 330' ' ' LEU . 3.9 t80 -60.75 -39.78 89.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.326 179.612 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.9 -39.24 77.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.63 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.8 ttm -63.8 -55.58 21.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.432 179.646 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.47 -32.57 71.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.726 179.716 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.412 ' HD3' ' CZ ' ' A' ' 338' ' ' PHE . 28.8 tpt85 -65.18 -34.9 79.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.955 0.407 . . . . 0.0 110.242 179.483 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -79.86 -31.56 40.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.271 179.378 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.636 ' CG ' HD21 ' D' ' 344' ' ' LEU . 0.9 OUTLIER -75.32 -30.42 60.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.524 179.618 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -75.21 -43.13 53.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.61 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.68 -31.7 67.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.677 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.856 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -73.82 -31.39 63.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.96 179.762 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.415 HD13 ' HB3' ' B' ' 337' ' ' ARG . 32.4 mt -72.13 -39.5 68.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.771 179.865 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -69.12 -31.22 69.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.03 -38.73 72.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -66.0 -37.0 84.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -68.12 -34.34 76.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.15 -31.19 62.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -73.96 -31.56 63.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -102.85 110.08 21.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.098 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.351 -1.25 . . . . 0.0 112.482 -179.999 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.805 0.335 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 62.38 149.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -147.63 104.9 3.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.469 HG23 ' HG3' ' A' ' 331' ' ' GLN . 0.8 OUTLIER -76.75 112.77 13.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.523 HD12 ' CE2' ' A' ' 338' ' ' PHE . 2.1 tt -106.72 104.74 14.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.41 ' HG3' HG23 ' A' ' 329' ' ' THR . 11.9 mt-30 -76.62 102.62 6.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.516 HD12 ' O ' ' B' ' 330' ' ' LEU . 3.4 mp -97.12 118.51 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.426 ' HG3' ' CE2' ' A' ' 327' ' ' TYR . 4.3 mtp180 -92.15 75.27 5.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 179.898 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 170.13 134.87 1.81 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.514 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 22.3 ttp85 -75.59 -32.11 60.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -73.61 -58.87 3.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.415 ' HB3' HD13 ' A' ' 348' ' ' LEU . 3.7 ptp180 -55.79 -41.12 73.64 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.435 ' CE2' HD13 ' A' ' 330' ' ' LEU . 3.8 t80 -63.22 -39.51 94.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.305 179.687 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -57.9 -40.39 80.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.656 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -63.16 -54.91 30.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.481 179.676 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -61.79 -32.56 72.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.752 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -38.54 83.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.293 179.495 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -77.51 -31.8 53.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.305 179.448 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.754 HD21 HD23 ' C' ' 344' ' ' LEU . 88.0 mt -75.01 -29.55 60.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.649 179.574 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -74.75 -42.42 58.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.754 179.802 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -71.04 -32.58 69.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.751 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.61 -31.91 63.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.967 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.472 HD13 ' HB3' ' A' ' 337' ' ' ARG . 13.6 mt -72.05 -37.68 69.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 179.869 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -66.67 -30.46 70.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 33.2 mt -66.95 -41.21 87.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -60.26 -31.53 70.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.2 -33.79 72.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.32 -33.91 75.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -84.83 -31.58 23.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.97 -51.42 47.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.036 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.027 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.514 -179.998 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.831 0.348 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -77.71 123.98 27.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -107.01 97.57 7.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 2.0 m -67.82 104.95 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 40.6 tp -111.23 116.23 30.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -97.84 115.88 28.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -117.0 145.84 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.423 ' HD3' ' CE1' ' D' ' 327' ' ' TYR . 13.3 ttp85 -97.35 69.3 2.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -172.96 120.61 0.82 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.465 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -69.25 -32.3 71.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -77.65 -50.88 11.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.49 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -56.54 -47.53 79.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.757 179.826 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.843 ' CE2' HD13 ' D' ' 330' ' ' LEU . 8.1 t80 -62.46 -44.58 96.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.159 179.427 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -56.05 -32.34 63.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.458 179.498 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.478 ' O ' HD12 ' C' ' 344' ' ' LEU . 2.2 ttp -67.2 -61.81 1.73 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.074 179.27 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.49 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 6.0 m-85 -59.64 -27.56 66.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.532 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -33.85 74.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.915 0.388 . . . . 0.0 110.135 179.373 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -78.68 -32.74 47.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.297 179.437 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.754 HD23 HD21 ' B' ' 344' ' ' LEU . 4.3 mp -73.77 -33.87 64.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.429 179.588 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -71.0 -42.69 69.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.534 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -66.88 -37.42 84.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.647 179.753 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.86 -35.28 80.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' C' ' 348' ' ' LEU . 0.7 OUTLIER -65.58 -45.07 84.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.678 179.859 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -59.99 -31.63 70.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.8 mp -67.87 -45.45 74.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -60.39 -31.68 70.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.75 -31.56 66.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.67 -31.45 68.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -67.33 -33.42 75.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -116.02 93.71 4.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.499 -179.98 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.824 0.345 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.423 ' CE1' ' HD3' ' C' ' 333' ' ' ARG . 0.7 OUTLIER -158.72 140.07 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -136.45 128.44 29.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.36 141.45 28.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.843 HD13 ' CE2' ' C' ' 338' ' ' PHE . 11.0 tp -140.57 107.41 5.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -91.61 101.21 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.514 HD11 HD23 ' D' ' 330' ' ' LEU . 3.5 mp -98.61 120.27 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -82.94 76.25 9.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.89 133.97 1.86 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -74.37 -33.97 63.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.64 -45.21 22.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.969 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.459 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 2.2 tpp180 -58.23 -50.2 74.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.715 179.825 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -62.13 -44.32 96.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.106 179.423 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -56.87 -32.54 65.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.448 179.479 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.3 ttp -66.82 -60.23 2.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.237 179.399 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.459 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.4 m-85 -59.34 -28.57 66.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.777 179.524 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -66.47 -36.59 83.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.095 179.301 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.03 -32.72 57.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.311 179.429 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.817 ' O ' HD23 ' D' ' 348' ' ' LEU . 1.0 OUTLIER -72.55 -30.56 64.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.54 179.562 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -72.83 -45.65 57.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.729 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -69.6 -31.84 70.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.798 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.856 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -74.66 -32.41 62.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.036 179.87 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.817 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.3 mm? -72.19 -34.44 68.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.95 -31.69 68.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -71.18 -34.22 70.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -66.39 -35.82 81.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.85 -31.55 72.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.24 -40.22 62.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -74.89 -31.56 61.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -134.7 80.72 1.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.066 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.517 179.97 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.81 0.338 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -132.55 151.52 51.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.438 ' CZ ' ' HD3' ' B' ' 335' ' ' ARG . 40.1 m-85 -152.8 100.78 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 6.8 m -72.0 137.97 47.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.444 ' CD2' HD11 ' A' ' 332' ' ' ILE . 43.5 tp -137.53 109.45 7.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -89.87 98.63 11.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.559 HG22 ' H ' ' A' ' 334' ' ' GLY . 26.3 mm -81.71 128.38 38.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.71 30.93 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.559 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -138.94 123.95 2.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.59 -43.3 99.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.341 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -75.23 -51.83 12.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -56.09 -41.98 76.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.704 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.429 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 12.2 t80 -62.04 -47.79 83.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.375 179.613 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -54.61 -33.95 61.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.691 179.73 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.498 ' O ' HD12 ' A' ' 344' ' ' LEU . 2.8 mtp -66.29 -58.04 6.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.336 179.537 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.414 ' HB3' ' CG ' ' B' ' 341' ' ' PHE . 3.1 m-85 -60.95 -30.62 70.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.807 179.713 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.48 -37.74 80.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.421 . . . . 0.0 110.22 179.468 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -78.77 -30.9 45.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.201 179.317 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.696 ' CG ' HD21 ' D' ' 344' ' ' LEU . 1.0 OUTLIER -75.1 -31.55 61.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.546 179.525 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.444 ' OD1' HD13 ' B' ' 332' ' ' ILE . 4.4 t30 -73.59 -43.05 60.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.719 179.817 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.455 ' O ' HD23 ' A' ' 350' ' ' LEU . 5.6 tt0 -73.16 -31.62 64.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.687 179.794 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.556 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -77.26 -31.54 55.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.856 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.665 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.6 OUTLIER -74.94 -31.42 61.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.754 179.848 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -70.43 -30.72 67.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.81 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 346' ' ' GLU . 2.3 mm? -65.81 -36.98 85.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -59.7 -38.57 81.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.91 -38.48 85.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.17 -31.47 62.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -78.74 -31.47 46.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -94.58 -74.1 0.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.507 -179.968 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.811 0.339 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -84.76 152.9 23.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.429 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 23.4 m-85 -142.67 103.23 4.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.3 m -63.06 148.97 46.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.463 HD23 HD11 ' B' ' 332' ' ' ILE . 11.1 tp -148.23 94.35 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -82.36 127.25 33.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.466 HD13 ' HE1' ' B' ' 341' ' ' PHE . 22.6 mt -134.88 152.48 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -105.19 36.42 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.77 125.12 4.02 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.438 ' HD3' ' CZ ' ' A' ' 328' ' ' PHE . 14.3 tpt180 -73.08 -39.35 65.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -74.17 -42.32 60.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.571 ' HG3' HD13 ' A' ' 348' ' ' LEU . 6.3 ttm180 -57.88 -49.53 76.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.711 179.882 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.444 ' CE2' HD13 ' A' ' 330' ' ' LEU . 10.2 t80 -59.65 -46.42 89.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.36 179.644 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -55.87 -33.03 64.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.59 179.699 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.4 ttp -67.0 -58.67 4.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.337 179.457 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.466 ' HE1' HD13 ' B' ' 332' ' ' ILE . 3.4 m-85 -61.06 -29.65 69.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.689 179.677 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -68.17 -37.23 80.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.214 179.355 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.4 -33.9 54.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.143 179.318 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.81 ' O ' HD23 ' B' ' 348' ' ' LEU . 0.5 OUTLIER -71.12 -29.73 65.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.359 179.416 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -72.34 -49.39 34.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.619 179.695 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.33 -28.9 69.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.826 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.672 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -72.86 -36.07 67.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.064 179.926 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.81 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.7 mm? -69.28 -37.34 77.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.821 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.29 -30.94 66.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 16.2 mt -72.48 -37.9 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.57 ' HE3' ' HB2' ' C' ' 347' ' ' ALA . 19.8 mttm -67.07 -31.5 72.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.85 -31.67 61.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.16 -32.48 64.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -72.35 -32.62 66.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -91.73 177.57 6.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.435 -1.203 . . . . 0.0 112.479 179.997 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.833 0.349 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 60.53 111.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.403 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 6.6 m-85 -127.76 103.91 7.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.534 HG22 ' CG2' ' D' ' 329' ' ' THR . 0.2 OUTLIER -63.12 103.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.654 HD13 ' CE2' ' D' ' 338' ' ' PHE . 7.0 tp -100.04 117.14 33.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -91.05 114.22 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.593 HG23 ' OD1' ' D' ' 345' ' ' ASN . 3.9 mp -109.37 141.29 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.094 -179.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -106.06 73.12 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.18 130.2 1.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -30.57 63.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -74.14 -55.24 6.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -55.62 -40.14 71.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.712 179.867 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -63.31 -47.51 81.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.335 179.553 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -54.63 -33.83 61.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.666 179.708 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.6 mmm -66.4 -58.43 5.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.323 179.519 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.408 ' CD2' ' CD1' ' D' ' 341' ' ' PHE . 4.1 m-85 -59.96 -29.59 68.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.819 179.677 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -36.44 81.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.179 179.365 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -79.01 -32.01 44.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.273 179.345 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.826 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.8 OUTLIER -75.0 -30.27 61.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.528 179.538 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -74.66 -42.78 57.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.697 179.801 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.454 ' O ' HD23 ' C' ' 350' ' ' LEU . 3.9 mt-10 -70.93 -32.55 69.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.748 179.763 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.672 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -73.43 -32.97 64.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.826 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.3 mm? -70.88 -37.62 73.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.675 179.883 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.73 -31.24 72.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.454 HD23 ' O ' ' C' ' 346' ' ' GLU . 2.8 mm? -67.01 -46.3 74.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.822 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 11.2 mttt -60.07 -36.01 76.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.87 -32.13 72.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.36 -31.12 62.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.06 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -72.94 -34.41 66.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -88.44 112.73 23.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.483 179.997 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.775 0.322 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -146.84 97.05 2.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -84.61 99.5 10.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.534 ' CG2' HG22 ' C' ' 329' ' ' THR . 14.7 m -73.99 135.61 43.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.522 HD23 HD11 ' D' ' 332' ' ' ILE . 19.4 tp -134.31 103.33 5.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -70.38 111.14 5.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.548 HG22 ' H ' ' D' ' 334' ' ' GLY . 28.4 mm -96.52 130.04 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.53 30.83 3.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.548 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -147.33 119.32 1.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -32.18 70.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 0.0 110.934 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -75.43 -52.78 9.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttm105 -56.9 -38.86 73.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.649 179.824 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.654 ' CE2' HD13 ' C' ' 330' ' ' LEU . 12.1 t80 -63.29 -48.0 79.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.381 179.627 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.45 -33.44 59.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.656 179.682 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.0 ttm -66.84 -58.96 4.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.313 179.473 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.408 ' CD1' ' CD2' ' C' ' 341' ' ' PHE . 3.5 m-85 -61.1 -29.62 69.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.73 179.596 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 28.2 ttp85 -68.66 -35.57 77.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.968 0.413 . . . . 0.0 110.174 179.398 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -80.05 -31.28 39.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.191 179.306 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.8 ' O ' HD23 ' D' ' 348' ' ' LEU . 0.5 OUTLIER -75.13 -31.3 61.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.488 179.484 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.593 ' OD1' HG23 ' C' ' 332' ' ' ILE . 44.5 t30 -74.73 -43.47 54.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.613 179.794 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -71.05 -30.8 67.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.812 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.556 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -76.22 -34.53 59.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 179.892 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.8 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.6 mm? -72.25 -30.75 65.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 179.774 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -73.49 -44.05 58.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.824 HD12 ' N ' ' D' ' 351' ' ' LYS . 4.3 pp -69.58 -31.47 69.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.918 0.389 . . . . 0.0 110.503 179.809 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.824 ' N ' HD12 ' D' ' 350' ' ' LEU . 3.8 mtpt -72.43 -42.3 65.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.436 179.613 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.03 -31.41 72.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.842 179.886 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.73 87.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -69.95 -32.61 70.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -117.44 92.74 3.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.501 -179.99 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.823 0.344 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.432 ' CZ ' ' HG2' ' B' ' 333' ' ' ARG . 52.2 m-85 60.9 112.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.426 ' HB2' ' CD1' ' B' ' 338' ' ' PHE . 8.2 m-85 -127.61 112.36 14.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.94 132.44 53.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.846 HD13 ' CE1' ' B' ' 338' ' ' PHE . 15.7 tp -135.52 116.55 14.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -103.76 119.11 38.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 27.5 mm -111.37 152.25 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -110.69 37.68 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -144.23 129.53 3.64 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 -64.55 -66.54 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -59.68 -37.62 79.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.831 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.679 ' NE ' HD11 ' B' ' 348' ' ' LEU . 1.5 tpt180 -59.5 -51.5 69.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.647 179.82 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.783 ' CZ ' HD13 ' B' ' 330' ' ' LEU . 10.1 t80 -60.76 -46.85 88.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.111 179.499 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -55.66 -32.2 63.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.402 179.478 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.9 ttp -66.74 -60.9 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.1 179.35 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.573 ' HE1' HD22 ' B' ' 344' ' ' LEU . 4.0 m-85 -60.15 -29.17 68.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 179.575 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.13 -41.87 69.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.077 179.283 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -75.61 -30.64 59.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.18 179.198 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.917 HD21 HD22 ' D' ' 344' ' ' LEU . 3.6 tp -72.73 -30.88 64.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.465 179.552 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -72.43 -46.9 52.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.642 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.45 -24.77 61.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.848 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.419 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . . . -83.55 -27.52 29.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 179.859 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.886 HD13 ' HD3' ' A' ' 351' ' ' LYS . 3.6 mm? -81.38 -27.7 34.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.004 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -81.09 -29.28 34.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.188 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.783 HD12 ' N ' ' A' ' 351' ' ' LYS . 4.1 pp -80.9 -28.51 35.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.886 ' HD3' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -78.33 -29.2 47.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.821 0.344 . . . . 0.0 110.641 179.725 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.61 -31.02 67.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.663 179.774 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.34 -30.88 71.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.984 179.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -111.07 27.65 9.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.58 -48.35 13.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.156 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.351 -1.249 . . . . 0.0 112.576 179.974 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.809 0.338 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -133.42 152.9 51.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -137.39 122.8 19.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.1 153.04 26.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.783 HD13 ' CZ ' ' A' ' 338' ' ' PHE . 7.5 tp -155.12 112.12 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -87.07 84.46 7.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.453 HD11 HD23 ' B' ' 330' ' ' LEU . 29.2 mm -75.47 109.76 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.432 ' HG2' ' CZ ' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -65.28 -30.62 71.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.959 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -75.14 133.89 15.86 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.563 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -74.14 -57.15 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.1 -38.45 83.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.459 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 1.2 tpp180 -59.74 -51.74 68.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.755 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.846 ' CE1' HD13 ' A' ' 330' ' ' LEU . 8.0 t80 -59.55 -44.28 93.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.273 179.562 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.44 -34.99 64.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.533 179.529 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.93 -60.07 3.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.22 179.413 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.459 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 4.2 m-85 -60.67 -28.43 68.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.609 179.59 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -32.84 74.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.102 179.289 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -77.99 -32.7 51.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.317 179.381 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.632 HD21 HD21 ' C' ' 344' ' ' LEU . 3.2 mp -73.04 -37.45 66.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.437 179.58 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -69.06 -40.66 78.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.608 179.804 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.732 ' O ' HD23 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -66.8 -34.96 78.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.656 179.749 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.582 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -65.39 -40.37 93.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.84 179.791 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.679 HD11 ' NE ' ' A' ' 337' ' ' ARG . 8.6 mt -63.12 -44.37 95.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.82 179.836 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -62.15 -31.43 71.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.732 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.7 mm? -74.41 -32.87 62.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.85 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -30.91 67.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -69.87 -31.89 69.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.07 -38.49 79.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -63.91 -33.69 76.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.72 179.15 4.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.519 -179.958 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.826 0.346 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 61.29 112.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.409 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 5.4 m-85 -126.12 113.41 17.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.55 104.39 11.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.664 HD13 ' CE1' ' D' ' 338' ' ' PHE . 23.1 tp -95.01 114.38 26.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -88.61 97.17 10.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.541 HD11 HD23 ' C' ' 330' ' ' LEU . 3.3 mp -96.14 126.3 48.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -98.75 33.82 2.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.488 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -136.67 115.62 1.3 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 179.92 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.0 ptt-85 -61.22 -35.98 78.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -74.32 -54.46 7.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.552 ' CG ' HD13 ' D' ' 348' ' ' LEU . 2.5 mtm105 -55.43 -42.34 74.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.668 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -61.0 -45.7 93.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.391 179.659 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -54.08 -36.66 63.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.64 179.712 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -65.39 -59.35 4.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.259 179.39 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.481 ' CD1' ' CD2' ' D' ' 341' ' ' PHE . 4.5 m-85 -58.96 -27.28 65.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.708 179.588 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -39.01 88.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.99 0.424 . . . . 0.0 110.138 179.373 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.69 -32.55 57.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.27 179.394 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.632 HD21 HD21 ' B' ' 344' ' ' LEU . 1.3 mt -73.39 -29.78 62.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.506 179.508 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.434 ' ND2' HD21 ' D' ' 330' ' ' LEU . 23.5 m-20 -72.96 -45.12 59.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.707 179.806 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.442 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.6 mm-40 -71.32 -33.91 70.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.742 179.855 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.582 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -76.5 -29.65 56.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.998 179.817 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.763 HD13 ' HD3' ' D' ' 337' ' ' ARG . 9.9 mt -76.24 -29.44 57.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -77.38 -32.06 54.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.823 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.442 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.7 mm? -77.16 -37.97 52.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.808 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.04 -28.77 57.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.864 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -78.82 -30.55 45.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 179.88 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.32 -30.81 57.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.062 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -74.26 -31.7 62.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.05 36.6 1.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.463 179.995 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.791 0.329 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 60.66 102.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -111.43 99.26 8.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 30.4 m -68.41 128.89 38.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.434 HD21 ' ND2' ' C' ' 345' ' ' ASN . 53.0 tp -127.39 110.76 13.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -85.58 123.79 31.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.653 HG21 ' HG2' ' D' ' 337' ' ' ARG . 4.6 mt -125.15 137.39 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -97.86 36.41 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.28 120.32 2.18 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -59.95 4.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 110.937 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -59.86 -33.86 72.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.763 ' HD3' HD13 ' C' ' 348' ' ' LEU . 6.5 ttp180 -60.93 -54.0 50.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.647 179.76 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.664 ' CE1' HD13 ' C' ' 330' ' ' LEU . 8.6 t80 -61.02 -45.56 94.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.062 179.399 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -56.78 -31.55 64.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.351 179.421 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.3 ttp -67.1 -60.71 2.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.213 179.342 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.481 ' CD2' ' CD1' ' C' ' 341' ' ' PHE . 3.6 m-85 -60.97 -28.57 69.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.776 179.606 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -70.66 -37.71 73.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.939 0.399 . . . . 0.0 110.25 179.45 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -79.01 -31.28 44.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.289 179.292 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.917 HD22 HD21 ' A' ' 344' ' ' LEU . 66.1 mt -76.04 -29.35 58.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.578 179.564 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -75.67 -42.12 52.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.639 179.772 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -71.76 -32.58 67.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.699 179.828 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.47 -34.11 63.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.7 HD12 ' O ' ' D' ' 344' ' ' LEU . 0.4 OUTLIER -71.14 -34.18 70.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.691 179.825 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -66.01 -30.24 70.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.6 mp -62.74 -40.55 97.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -59.26 -39.97 84.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.52 -32.95 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.04 -31.21 61.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.067 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -74.61 -32.79 62.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -104.6 -67.99 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.472 -179.993 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.866 0.365 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.4 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 12.9 m-85 -133.33 109.31 9.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -106.36 100.66 10.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.12 150.99 47.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.8 HD13 ' CE1' ' B' ' 338' ' ' PHE . 14.1 tp -152.79 106.57 3.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -84.55 119.63 25.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 28.0 mm -115.8 121.69 67.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.44 ' HG2' ' CE2' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -64.98 -30.87 71.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 179.937 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -70.84 131.51 21.14 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.526 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.425 ' HG3' ' CZ ' ' B' ' 328' ' ' PHE . 11.4 ttp180 -75.35 -57.63 3.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -61.67 -39.31 90.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.775 ' NE ' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -59.76 -51.91 67.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.754 179.894 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.448 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 7.7 t80 -59.99 -43.86 94.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.288 179.559 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.51 -34.06 66.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.416 179.557 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.8 tpp -66.63 -60.77 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.104 179.342 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.449 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 3.8 m-85 -61.03 -28.54 69.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.792 179.546 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -70.29 -38.09 74.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.958 0.409 . . . . 0.0 110.032 179.361 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.02 -30.36 61.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.099 179.153 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.861 HD21 HD11 ' D' ' 344' ' ' LEU . 0.1 OUTLIER -71.97 -42.49 66.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.476 179.537 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -65.0 -38.75 91.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.737 179.856 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -70.45 -30.89 67.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.48 -31.8 67.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.4 mm? -72.31 -44.38 62.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 179.927 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -68.02 -28.24 67.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.49 -37.55 65.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -69.59 -32.35 71.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.54 -34.22 72.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.35 -31.01 70.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.068 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.456 HE22 HD12 ' D' ' 350' ' ' LEU . 57.8 mt-30 -81.24 -32.66 33.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -66.4 114.96 5.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.435 -1.203 . . . . 0.0 112.513 -179.983 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.83 0.348 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.44 ' CE2' ' HG2' ' A' ' 333' ' ' ARG . 13.0 m-85 -94.84 152.92 17.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.448 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 19.5 m-85 -135.86 107.83 7.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 4.2 m -69.82 125.63 27.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 19.2 tp -111.64 110.28 20.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -90.29 88.05 7.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.426 HG21 ' HB3' ' B' ' 337' ' ' ARG . 4.0 mt -85.41 149.52 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 6.0 ttt180 -117.13 42.99 2.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -155.36 137.16 5.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.74 -41.14 68.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -74.74 -40.33 61.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.782 179.878 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.452 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 2.0 tpp180 -59.26 -51.39 70.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.623 179.803 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.8 ' CE1' HD13 ' A' ' 330' ' ' LEU . 8.9 t80 -61.09 -45.64 93.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.169 179.464 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.33 -32.4 64.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.483 179.542 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttm -66.57 -59.84 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.193 179.351 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.452 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 5.5 m-85 -59.48 -30.86 68.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.726 179.614 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -65.97 -39.61 90.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.984 0.421 . . . . 0.0 109.938 179.288 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -74.71 -29.83 61.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.905 178.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 1.007 HD12 HD11 ' B' ' 348' ' ' LEU . 0.1 OUTLIER -71.9 -44.07 64.34 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.457 179.459 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -65.36 -38.68 90.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.802 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -73.24 -37.35 66.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.761 179.822 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.58 -30.25 61.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.969 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 1.007 HD11 HD12 ' B' ' 344' ' ' LEU . 21.0 mt -75.6 -30.75 59.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.824 179.876 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -71.81 -29.17 64.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.14 -38.74 78.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -62.7 -39.01 92.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.24 -38.24 88.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.61 -31.9 72.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.05 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -62.35 -32.24 72.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -131.01 83.42 2.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.495 -179.956 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.811 0.339 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.404 ' CZ ' ' HG3' ' D' ' 333' ' ' ARG . 26.3 m-85 -128.25 109.61 11.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -97.98 98.94 10.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.446 HG23 ' HG3' ' D' ' 331' ' ' GLN . 13.7 m -74.25 120.32 19.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.676 HD23 HD11 ' C' ' 332' ' ' ILE . 22.3 tp -107.47 123.97 49.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -98.71 85.81 3.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.676 HD11 HD23 ' C' ' 330' ' ' LEU . 3.7 mp -83.26 126.64 40.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -98.76 30.94 3.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.574 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -126.74 136.68 9.56 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.443 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -74.44 -51.11 15.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -73.96 -47.68 35.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.991 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -56.7 -44.1 81.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.76 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.43 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 12.5 t80 -61.15 -48.09 83.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.38 179.634 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -54.95 -32.96 61.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.696 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 3.7 ttp -67.01 -57.3 7.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.399 179.576 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.531 ' HE1' HD22 ' D' ' 344' ' ' LEU . 2.2 m-85 -61.63 -30.74 70.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.709 179.649 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -67.81 -36.84 81.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.231 179.442 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -77.06 -31.76 56.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.271 179.349 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.755 HD21 ' CD2' ' B' ' 344' ' ' LEU . 0.1 OUTLIER -74.2 -35.48 63.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.656 179.592 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -71.07 -38.63 72.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.758 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.79 -33.38 72.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.63 -37.39 76.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.046 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.691 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.1 mm? -67.82 -39.84 83.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -64.93 -31.33 72.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.5 mt -71.92 -40.81 68.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -66.66 -31.52 72.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -67.36 -33.44 75.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.12 -31.7 68.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -89.39 -40.25 12.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . 59.98 107.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.498 -179.998 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 10.9 pm0 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.835 0.35 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -96.76 153.08 18.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.43 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 26.1 m-85 -139.9 109.97 6.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 2.4 m -86.53 142.54 28.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.928 HD23 HD11 ' D' ' 332' ' ' ILE . 9.9 tp -141.98 105.95 4.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.446 ' HG3' HG23 ' C' ' 329' ' ' THR . 33.1 mt-30 -87.3 110.4 20.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.928 HD11 HD23 ' D' ' 330' ' ' LEU . 4.5 mt -115.0 144.86 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.06 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.404 ' HG3' ' CZ ' ' C' ' 327' ' ' TYR . 4.7 ttp180 -98.46 35.69 1.76 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -130.02 122.52 3.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.449 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -45.98 69.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -71.71 -40.63 69.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.462 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 1.9 tpp180 -59.35 -51.59 69.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.626 179.849 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.509 ' CE2' HD13 ' C' ' 330' ' ' LEU . 8.3 t80 -61.0 -44.71 97.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.161 179.501 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -56.84 -32.43 65.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.461 179.57 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.5 ttm -67.03 -59.85 3.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.225 179.398 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.462 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.1 m-85 -59.92 -29.27 68.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.74 179.595 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -67.05 -39.56 86.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.013 179.266 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -76.2 -32.75 59.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.171 179.247 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.861 HD11 HD21 ' A' ' 344' ' ' LEU . 0.1 OUTLIER -71.62 -30.39 65.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.394 179.413 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.672 HD21 HG23 ' C' ' 332' ' ' ILE . 2.1 t-20 -71.43 -48.28 50.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.709 179.737 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.609 ' O ' HD23 ' D' ' 350' ' ' LEU . 40.1 mt-10 -67.9 -31.72 71.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.5 -33.37 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.048 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.406 HD23 HD23 ' D' ' 344' ' ' LEU . 1.6 mm? -72.97 -29.91 63.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 179.921 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -70.81 -31.17 67.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.609 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.9 mm? -68.95 -36.45 77.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -63.12 -32.57 73.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.84 -33.6 68.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.7 -32.2 60.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -78.61 -32.5 47.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -76.6 -175.47 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.512 -179.966 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.842 0.354 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 60.83 111.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -124.98 110.79 14.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 1.2 p -75.23 119.93 20.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 1.029 HD23 HD11 ' A' ' 332' ' ' ILE . 8.0 tp -106.36 113.47 27.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -99.72 101.56 12.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 1.029 HD11 HD23 ' A' ' 330' ' ' LEU . 3.8 mp -97.62 145.09 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 59.8 ttt-85 -98.13 35.04 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -147.12 122.02 1.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -65.02 -31.9 73.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -75.05 -50.61 15.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.719 ' CG ' HD13 ' B' ' 348' ' ' LEU . 6.3 mtm180 -56.75 -43.4 80.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 179.842 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.436 ' CE1' HD13 ' B' ' 330' ' ' LEU . 11.2 t80 -61.1 -46.81 89.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.425 179.673 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -54.71 -34.38 62.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.683 179.671 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.2 ttp -66.59 -58.79 4.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.261 179.465 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -60.08 -28.52 67.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.777 179.625 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -67.61 -36.62 81.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.936 0.398 . . . . 0.0 110.196 179.414 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -78.63 -32.74 47.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.351 179.433 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.78 ' O ' HD23 ' A' ' 348' ' ' LEU . 81.0 mt -76.15 -29.2 57.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.591 179.589 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.485 ' OD1' HG23 ' B' ' 332' ' ' ILE . 16.7 t30 -75.6 -40.06 57.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.743 179.812 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -72.9 -34.08 66.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.781 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.586 ' HB2' ' NZ ' ' D' ' 351' ' ' LYS . . . -75.61 -31.65 59.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 179.876 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.78 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.5 mm? -74.48 -31.61 62.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.752 179.882 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -70.2 -31.67 69.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.869 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 13.4 mt -71.56 -33.15 68.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.798 179.906 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -67.1 -37.56 84.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.813 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.78 -41.44 99.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.17 -34.67 75.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -76.7 -31.55 57.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -139.44 113.55 8.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.394 -1.226 . . . . 0.0 112.486 -179.944 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.796 0.332 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 61.86 115.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -129.39 130.69 46.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.6 m -91.65 137.39 32.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.588 HD23 HD11 ' B' ' 332' ' ' ILE . 15.8 tp -133.04 98.63 4.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -81.21 110.85 17.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.588 HD11 HD23 ' B' ' 330' ' ' LEU . 22.2 mt -118.45 142.77 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -97.57 37.85 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.36 108.46 0.55 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.453 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -60.78 -31.23 70.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.47 -52.51 18.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -56.11 -41.76 75.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.71 179.817 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -61.96 -47.29 85.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.39 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -54.86 -33.91 62.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.654 179.745 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.3 tpp -66.46 -58.38 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.294 179.507 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.531 ' HE1' HD13 ' B' ' 332' ' ' ILE . 3.9 m-85 -60.15 -30.04 69.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.782 179.633 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.15 -35.87 80.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.162 179.471 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.0 -31.99 39.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.241 179.37 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.809 HD22 HD11 ' C' ' 344' ' ' LEU . 17.9 mt -75.9 -30.68 58.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.433 179.531 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.5 ' ND2' HG23 ' A' ' 332' ' ' ILE . 53.0 t-20 -75.47 -42.6 52.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.637 179.727 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -72.52 -31.41 65.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.71 179.779 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.45 -33.01 58.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.996 179.825 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.719 HD13 ' CG ' ' A' ' 337' ' ' ARG . 0.6 OUTLIER -73.66 -31.57 63.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.736 179.837 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -69.79 -31.76 69.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 179.862 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 10.7 mt -67.56 -43.52 80.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -60.23 -31.78 70.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.19 -31.5 70.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.93 -40.16 60.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.85 -30.52 26.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -131.4 137.3 48.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.502 179.989 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 10.0 pm0 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.812 0.339 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.427 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 9.4 m-85 61.59 114.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -130.44 97.7 4.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 4.1 m -64.78 113.7 3.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.706 HD13 ' CE1' ' D' ' 338' ' ' PHE . 14.2 tp -122.65 111.58 16.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -91.24 83.81 5.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.556 ' H ' HD12 ' C' ' 332' ' ' ILE . 3.8 mp -78.27 128.11 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.446 ' CD ' ' CE1' ' D' ' 327' ' ' TYR . 10.7 ttp180 -94.16 71.88 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -174.28 112.13 0.4 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.448 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.5 -31.46 70.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -76.96 -57.86 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.733 ' CG ' HD13 ' D' ' 348' ' ' LEU . 3.9 mtm180 -55.25 -40.65 71.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.721 179.801 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -63.12 -45.68 90.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.368 179.563 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -55.01 -35.05 63.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.634 179.706 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -66.09 -58.98 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.251 179.462 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.443 ' CD2' ' CD1' ' D' ' 341' ' ' PHE . 3.6 m-85 -61.27 -29.63 69.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.746 179.625 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -69.0 -36.56 77.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.199 179.356 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.69 -31.67 41.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.176 179.277 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.809 HD11 HD22 ' B' ' 344' ' ' LEU . 0.1 OUTLIER -75.84 -30.2 58.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.538 179.513 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -75.15 -42.0 57.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.717 179.793 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.29 -31.85 66.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.748 179.863 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.46 -32.75 60.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.944 179.869 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.808 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.5 mm? -72.82 -34.13 66.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.746 179.838 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -68.15 -31.03 70.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.6 mt -66.11 -42.11 89.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -60.93 -31.81 71.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.54 -33.64 69.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.91 -34.83 66.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -71.16 -31.58 67.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.08 106.85 13.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.337 -1.257 . . . . 0.0 112.491 179.993 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.786 0.327 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.446 ' CE1' ' CD ' ' C' ' 333' ' ' ARG . 8.1 m-85 60.34 98.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -103.34 115.85 31.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.79 129.72 40.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 40.0 tp -133.13 108.5 8.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.15 114.58 26.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.418 HG21 ' HD2' ' D' ' 337' ' ' ARG . 3.8 mp -111.35 134.73 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.427 ' HG3' ' CE2' ' C' ' 327' ' ' TYR . 2.2 ttm105 -93.59 61.97 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -170.79 128.94 1.7 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.39 -30.2 61.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.75 0.31 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -77.27 -50.37 13.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.418 ' HD2' HG21 ' D' ' 332' ' ' ILE . 0.0 OUTLIER -56.19 -45.99 79.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.67 179.849 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.706 ' CE1' HD13 ' C' ' 330' ' ' LEU . 10.2 t80 -61.47 -46.69 88.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.242 179.538 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.11 -33.49 62.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.599 179.729 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.7 ttm -66.46 -58.95 4.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.252 179.51 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.443 ' CD1' ' CD2' ' C' ' 341' ' ' PHE . 4.5 m-85 -60.39 -29.75 69.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.709 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.7 -36.29 78.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.949 0.405 . . . . 0.0 110.132 179.451 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -79.42 -31.96 42.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.122 179.314 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.649 ' O ' HD12 ' D' ' 348' ' ' LEU . 0.3 OUTLIER -73.88 -32.35 63.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.34 179.438 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -72.08 -45.22 61.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.637 179.757 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.27 -30.76 63.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.62 179.708 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.21 -28.14 53.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.894 179.722 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.733 HD13 ' CG ' ' C' ' 337' ' ' ARG . 2.0 mt -75.79 -36.94 59.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.789 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.51 -26.46 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.74 -42.48 61.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.046 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.586 ' NZ ' ' HB2' ' A' ' 347' ' ' ALA . 0.0 OUTLIER -68.63 -27.55 66.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.023 -179.938 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -72.82 -33.29 66.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.41 -31.05 48.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.083 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -84.88 -31.37 23.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -95.15 124.64 39.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.498 -179.973 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.771 0.32 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 61.25 113.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -123.63 150.74 43.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.32 110.88 23.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.776 HD13 ' CE1' ' B' ' 338' ' ' PHE . 29.7 tp -103.39 109.9 21.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -98.94 116.4 31.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -116.51 151.76 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -98.88 32.32 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.48 124.81 4.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 70.2 ttt-85 -74.65 -50.45 17.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.767 0.318 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -66.52 -41.41 88.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.493 ' HD2' HD11 ' B' ' 348' ' ' LEU . 5.3 mmt-85 -58.32 -50.11 74.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.795 179.906 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.401 ' CE1' HD13 ' B' ' 330' ' ' LEU . 7.1 t80 -56.24 -43.01 78.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.704 179.906 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -56.17 -39.17 71.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.354 . . . . 0.0 110.48 179.745 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.1 tmm? -66.61 -60.28 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.945 179.163 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.466 ' CE1' HD13 ' B' ' 344' ' ' LEU . 9.3 m-85 -60.71 -22.45 63.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.158 179.605 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -73.29 -34.86 65.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.077 0.465 . . . . 0.0 109.972 179.182 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -76.36 -30.5 57.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.135 179.193 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.795 HD21 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -69.83 -38.79 76.65 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.519 179.629 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.6 ' OD1' HG23 ' B' ' 332' ' ' ILE . 27.4 m-80 -68.48 -45.6 71.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.769 179.865 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.565 ' O ' HD12 ' A' ' 350' ' ' LEU . 52.6 mt-10 -70.84 -32.91 70.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.772 179.822 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.74 -33.52 58.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.801 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.85 HD13 ' HD2' ' B' ' 337' ' ' ARG . 0.4 OUTLIER -73.76 -28.45 61.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.65 179.833 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -70.03 -30.39 67.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.707 179.71 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 346' ' ' GLU . 0.8 OUTLIER -64.04 -42.72 96.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.801 179.896 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -59.94 -44.11 94.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -33.22 74.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.87 -31.15 68.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -67.6 -33.79 75.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.19 33.6 2.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.371 -1.239 . . . . 0.0 112.519 179.985 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.818 0.342 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -128.73 152.88 47.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -139.89 107.36 5.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 2.4 m -72.22 148.25 45.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.401 HD13 ' CE1' ' A' ' 338' ' ' PHE . 18.2 tp -147.03 106.19 3.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.7 83.79 7.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.6 HG23 ' OD1' ' A' ' 345' ' ' ASN . 5.1 mt -81.74 137.75 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.063 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -100.44 74.88 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 175.32 118.0 0.51 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.531 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -61.68 -40.56 95.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -74.61 -41.13 60.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.85 ' HD2' HD13 ' A' ' 348' ' ' LEU . 1.1 tpp85 -59.43 -51.68 68.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.708 179.903 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.776 ' CE1' HD13 ' A' ' 330' ' ' LEU . 6.9 t80 -59.25 -43.02 92.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.353 179.578 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -56.07 -34.21 65.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.49 179.563 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 39.0 ttm -66.84 -61.34 2.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.046 179.328 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.441 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 5.3 m-85 -60.9 -27.88 68.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.679 179.458 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -68.67 -31.85 71.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.029 179.236 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -78.86 -31.35 45.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.307 179.369 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.815 HD21 ' HG ' ' C' ' 344' ' ' LEU . 1.2 mt -72.54 -34.62 67.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.644 179.674 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.42 ' HA ' HD12 ' B' ' 348' ' ' LEU . 60.2 t-20 -72.42 -43.79 63.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.65 179.781 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.448 ' O ' HD23 ' B' ' 350' ' ' LEU . 42.1 mt-10 -68.58 -31.37 70.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.764 179.766 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.594 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -71.1 -35.8 71.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.991 179.847 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.493 HD11 ' HD2' ' A' ' 337' ' ' ARG . 9.5 mt -68.89 -38.56 79.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.698 179.878 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -63.81 -30.0 71.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.448 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.2 mm? -72.79 -32.45 65.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.506 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 0.0 OUTLIER -67.7 -31.86 72.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.86 -36.63 84.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.39 -31.29 71.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.059 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -80.65 -43.78 19.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.33 168.35 10.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.342 -1.255 . . . . 0.0 112.496 -179.978 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.818 0.342 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -96.01 110.05 22.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -93.03 88.48 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.69 125.9 27.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.618 ' O ' HD12 ' C' ' 332' ' ' ILE . 23.8 tp -128.08 111.85 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -83.05 104.23 13.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.618 HD12 ' O ' ' C' ' 330' ' ' LEU . 3.7 mp -105.78 149.33 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -110.41 78.05 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.65 105.42 0.19 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -30.0 67.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 111.006 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.7 -63.95 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.58 ' HD3' HG21 ' C' ' 332' ' ' ILE . 5.1 ptp85 -54.88 -40.32 69.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -65.18 -38.82 91.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.27 179.648 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -58.66 -38.57 78.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.641 179.788 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttm -64.46 -55.76 18.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.47 179.603 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.407 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 3.0 m-85 -61.59 -31.48 71.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.728 179.796 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -67.28 -34.99 78.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.225 179.532 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -80.31 -31.06 38.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.271 179.375 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.835 ' O ' HD23 ' C' ' 348' ' ' LEU . 1.4 mt -77.01 -32.17 56.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.541 179.623 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -75.66 -38.9 58.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.719 179.849 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -73.88 -32.02 63.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.66 179.822 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.594 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -73.75 -32.44 63.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.843 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.835 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.6 mm? -72.37 -39.75 67.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.745 179.903 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -66.91 -29.14 68.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.5 mt -70.05 -43.31 71.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -68.16 -29.79 68.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -71.17 -31.59 67.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.8 -31.25 70.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.054 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -87.48 -42.62 12.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.84 -171.49 1.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.358 -1.245 . . . . 0.0 112.488 -179.963 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.855 0.36 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 60.55 110.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -134.18 114.1 12.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 1.3 m -73.07 131.96 42.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.553 ' O ' HD12 ' D' ' 332' ' ' ILE . 16.4 tp -121.2 106.09 11.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -83.8 99.62 10.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.553 HD12 ' O ' ' D' ' 330' ' ' LEU . 3.7 mp -98.5 117.12 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 15.0 ttt-85 -98.25 36.01 1.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.447 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -144.03 125.85 2.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.45 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -65.22 -38.41 90.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.35 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -73.31 -51.89 15.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.6 ttm105 -56.1 -40.04 73.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.749 179.853 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -61.85 -48.47 80.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.439 179.668 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.97 -34.18 59.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.709 179.715 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 4.4 mtp -66.5 -58.64 4.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.362 179.443 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.407 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 3.0 m-85 -60.44 -29.19 68.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.698 179.573 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -67.8 -38.42 83.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.181 179.445 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -76.75 -32.59 57.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.304 179.38 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.795 HD21 HD21 ' A' ' 344' ' ' LEU . 0.3 OUTLIER -73.89 -29.98 62.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.496 179.595 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -73.46 -43.44 60.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.695 179.846 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -71.35 -31.2 67.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.726 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.05 -34.49 59.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.02 179.861 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.468 HD23 ' O ' ' D' ' 344' ' ' LEU . 2.4 mm? -72.65 -30.75 64.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.8 179.861 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.5 -29.8 66.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.805 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.15 -38.42 88.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -33.62 73.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -69.02 -39.1 79.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.27 -32.93 72.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -69.87 -31.38 69.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.53 116.82 16.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.545 -179.999 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.412 ' HG2' ' CZ ' ' A' ' 328' ' ' PHE . 2.5 tt0 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.875 0.369 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.42 ' CE1' ' HG3' ' B' ' 333' ' ' ARG . 5.4 m-85 -104.19 152.89 21.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.421 ' CZ ' ' HG3' ' B' ' 335' ' ' ARG . 48.4 m-85 -142.68 102.87 4.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 3.9 m -77.85 107.63 10.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.774 HD13 ' CE1' ' B' ' 338' ' ' PHE . 13.1 tp -100.32 108.37 20.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -95.71 121.37 37.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -118.62 152.73 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.405 ' CG ' ' CE2' ' B' ' 327' ' ' TYR . 0.8 OUTLIER -104.76 36.87 2.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.84 133.12 5.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -70.44 -61.9 1.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.31 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.79 -34.24 72.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.631 ' HD2' HD22 ' B' ' 348' ' ' LEU . 1.0 OUTLIER -60.32 -52.68 64.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.712 179.886 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.439 ' CZ ' HD13 ' B' ' 330' ' ' LEU . 9.4 t80 -58.78 -46.02 88.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.344 179.604 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -55.82 -32.73 63.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.448 179.534 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.542 ' O ' HD12 ' A' ' 344' ' ' LEU . 7.0 ttm -66.77 -60.65 2.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.167 179.338 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.447 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 5.1 m-85 -60.34 -28.83 68.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.619 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -34.03 74.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.947 0.403 . . . . 0.0 110.133 179.33 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.87 -31.99 51.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.293 179.342 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.882 HD21 HD21 ' D' ' 344' ' ' LEU . 1.4 mp -72.72 -36.38 67.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.512 179.598 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -69.85 -42.18 73.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.647 179.807 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -72.93 -38.32 66.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.624 179.716 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.27 -27.62 59.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.815 179.718 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 40.0 tp -76.52 -31.03 57.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.796 179.855 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -74.38 -31.61 62.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 mt -70.04 -32.52 70.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.901 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.412 ' HZ1' ' HB2' ' D' ' 347' ' ' ALA . 76.2 mttt -64.92 -32.41 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 179.897 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.32 -31.41 72.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.12 -43.98 60.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -29.7 35.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -90.64 -63.9 1.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.076 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.425 -1.209 . . . . 0.0 112.475 -179.961 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.818 0.342 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.405 ' CE2' ' CG ' ' A' ' 333' ' ' ARG . 12.6 m-85 -129.06 151.91 49.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.421 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 5.0 m-85 -130.28 131.83 45.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.5 145.62 28.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.623 HD23 HD11 ' B' ' 332' ' ' ILE . 13.2 tp -137.6 88.03 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -66.1 83.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.623 HD11 HD23 ' B' ' 330' ' ' LEU . 4.7 mt -93.08 152.55 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.42 ' HG3' ' CE1' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -108.05 39.41 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.36 113.44 1.06 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.464 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.421 ' HG3' ' CZ ' ' A' ' 328' ' ' PHE . 1.7 ttt-85 -68.47 -37.09 79.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.721 0.296 . . . . 0.0 111.007 -179.92 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -68.95 -58.71 3.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.949 -179.9 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -55.04 -45.99 75.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 0.0 110.772 179.859 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.774 ' CE1' HD13 ' A' ' 330' ' ' LEU . 3.9 t80 -60.5 -39.65 88.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.423 179.56 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.74 -39.9 78.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.695 179.762 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.8 ttm -63.48 -55.55 23.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.429 179.562 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.424 ' CG ' ' HB3' ' A' ' 341' ' ' PHE . 3.1 m-85 -61.0 -33.47 73.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.777 179.707 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -66.04 -33.44 75.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.276 179.513 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -80.14 -32.02 38.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.327 179.412 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.699 HD22 ' CD2' ' C' ' 344' ' ' LEU . 68.4 mt -76.46 -32.21 58.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.558 179.623 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -74.45 -39.24 62.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.505 179.699 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -74.5 -38.63 62.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.544 179.691 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.74 -27.59 60.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.793 179.575 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.631 HD22 ' HD2' ' A' ' 337' ' ' ARG . 8.2 tp -75.36 -33.71 61.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.661 179.815 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.83 -29.06 65.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.808 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.65 -44.61 61.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.61 ' HD3' HD12 ' B' ' 348' ' ' LEU . 6.9 ptmt -66.77 -30.37 70.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.799 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -69.33 -31.32 69.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.6 -31.22 68.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.053 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -71.03 -43.69 67.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -66.26 -39.07 89.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.507 -179.982 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.787 0.327 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -96.88 110.66 23.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -98.04 91.47 5.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.67 HG22 HG22 ' D' ' 329' ' ' THR . 0.2 OUTLIER -71.58 122.24 20.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.983 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.924 HD23 HD11 ' C' ' 332' ' ' ILE . 20.2 tp -108.98 116.05 31.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.612 ' CG ' HG23 ' D' ' 329' ' ' THR . 13.1 mt-30 -98.6 85.5 3.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.924 HD11 HD23 ' C' ' 330' ' ' LEU . 3.8 mp -85.3 142.6 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -98.63 33.51 2.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.34 121.21 3.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.445 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -60.26 -46.46 89.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.94 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.79 -47.7 44.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.574 ' HG3' HD13 ' D' ' 348' ' ' LEU . 3.1 ttm180 -56.78 -44.08 81.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.785 179.91 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.436 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 11.8 t80 -60.57 -47.41 86.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.49 179.645 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.62 -33.99 61.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.604 179.77 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -66.56 -58.63 4.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.329 179.502 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.477 ' CD2' ' CD1' ' D' ' 341' ' ' PHE . 2.5 m-85 -64.06 -29.35 70.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.797 179.693 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.404 ' HG3' ' CE1' ' C' ' 338' ' ' PHE . 2.3 tmt_? -73.6 -34.14 64.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.2 179.422 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -81.57 -31.93 32.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.266 179.334 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.699 ' CD2' HD22 ' B' ' 344' ' ' LEU . 11.2 mt -77.94 -29.44 49.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.565 179.52 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.561 ' OD1' HG23 ' D' ' 332' ' ' ILE . 52.1 t30 -77.61 -38.83 47.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.601 179.751 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -72.99 -31.12 64.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.755 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.585 ' HB2' ' HD2' ' B' ' 351' ' ' LYS . . . -75.62 -35.47 60.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.002 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.495 HD12 ' CG ' ' D' ' 337' ' ' ARG . 12.1 mt -72.36 -32.0 66.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.742 179.888 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.4 -31.61 70.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.754 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -71.43 -42.98 67.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.76 -31.24 72.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -67.61 -31.58 71.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.04 -31.22 69.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -90.09 -42.46 11.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.8 129.91 44.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.41 -1.217 . . . . 0.0 112.469 -179.953 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.822 0.344 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 60.43 110.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.436 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 7.4 m-85 -131.91 139.13 48.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.67 HG22 HG22 ' C' ' 329' ' ' THR . 0.2 OUTLIER -105.44 144.99 31.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 17.0 tp -149.33 102.19 3.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -66.05 84.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.628 HG21 ' HE2' ' D' ' 341' ' ' PHE . 4.6 mt -82.36 115.01 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -84.45 106.88 16.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 141.34 122.38 1.83 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -68.48 -30.67 69.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.05 -47.17 53.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.495 ' CG ' HD12 ' C' ' 348' ' ' LEU . 8.1 mtm180 -57.41 -43.16 83.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.712 179.923 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.474 ' CE2' HD13 ' C' ' 330' ' ' LEU . 12.3 t80 -60.59 -47.7 85.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.44 179.705 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -54.2 -34.1 59.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.603 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 19.7 ttm -66.39 -59.26 3.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.266 179.468 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.628 ' HE2' HG21 ' D' ' 332' ' ' ILE . 4.3 m-85 -60.45 -29.42 69.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.774 179.62 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.49 -34.95 76.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.987 0.422 . . . . 0.0 110.196 179.446 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.3 -31.04 38.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.219 179.299 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.882 HD21 HD21 ' A' ' 344' ' ' LEU . 1.6 mp -76.09 -32.54 59.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.473 179.572 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -75.53 -41.51 54.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.612 179.805 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -73.61 -29.89 62.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.719 179.774 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.412 ' HB2' ' HZ1' ' A' ' 351' ' ' LYS . . . -76.97 -31.75 56.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.996 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.639 HD12 ' O ' ' D' ' 344' ' ' LEU . 0.7 OUTLIER -76.74 -31.23 56.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.778 179.901 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -73.77 -29.86 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.777 179.794 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 7.3 mt -72.92 -42.0 63.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.501 ' HD3' HD23 ' D' ' 348' ' ' LEU . 2.3 ptmm? -67.16 -30.53 70.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.65 -31.32 70.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.68 -38.53 70.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -77.01 -39.5 50.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.9 -65.59 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.518 179.991 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 1.5 mm-40 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.858 0.361 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.401 ' CZ ' ' HB3' ' B' ' 333' ' ' ARG . 17.2 m-85 -88.5 117.87 27.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 326' ' ' GLU . 29.6 m-85 -105.16 127.89 53.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 2.7 m -93.53 152.89 18.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.643 HD13 ' CE1' ' B' ' 338' ' ' PHE . 12.2 tp -152.07 101.7 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -81.24 86.75 6.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.619 HD13 ' CD2' ' A' ' 341' ' ' PHE . 3.6 mt -82.32 149.68 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -107.41 86.03 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 162.84 118.5 0.46 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -31.29 72.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.311 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -75.33 -47.97 25.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -57.09 -45.13 83.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.639 179.876 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.434 ' CE1' ' HD2' ' A' ' 342' ' ' ARG . 11.9 t80 -60.84 -47.21 87.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.389 179.604 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.8 -34.15 62.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.689 179.666 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.49 ' O ' HD12 ' A' ' 344' ' ' LEU . 1.6 tpp -66.29 -58.01 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.317 179.541 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.619 ' CD2' HD13 ' A' ' 332' ' ' ILE . 3.4 m-85 -60.09 -30.44 69.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.759 179.66 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.434 ' HD2' ' CE1' ' A' ' 338' ' ' PHE . 10.6 ttt85 -66.66 -36.36 82.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.217 179.464 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -79.34 -31.68 43.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.287 179.388 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.805 ' O ' HD12 ' A' ' 348' ' ' LEU . 2.3 mp -76.56 -31.89 57.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.48 179.576 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.456 ' OD1' HG23 ' B' ' 332' ' ' ILE . 46.0 t30 -73.91 -39.71 63.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.655 179.701 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.583 ' O ' HD12 ' A' ' 350' ' ' LEU . 9.8 mt-10 -72.39 -37.13 68.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.663 179.836 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.506 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . . . -73.17 -30.92 63.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.855 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.848 HD13 ' HG2' ' B' ' 337' ' ' ARG . 0.3 OUTLIER -73.38 -33.54 65.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.76 179.886 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -68.45 -31.01 70.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.68 HD23 ' OE1' ' D' ' 354' ' ' GLN . 0.7 OUTLIER -65.63 -39.73 91.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.965 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.494 ' O ' ' HB3' ' A' ' 355' ' ' ALA . 5.1 ttmt -59.31 -32.11 69.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.975 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.22 -31.12 54.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -79.7 -31.4 41.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.68 -30.9 18.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 351' ' ' LYS . . . -94.62 -171.47 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.414 -1.215 . . . . 0.0 112.517 179.982 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.806 0.336 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 63.19 141.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -155.69 115.55 3.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.92 138.66 46.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.408 HD13 ' CE2' ' A' ' 338' ' ' PHE . 11.2 tp -131.81 106.69 8.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -103.19 121.09 41.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.494 HD13 ' CE2' ' B' ' 341' ' ' PHE . 4.0 mt -125.24 150.64 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.097 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 327' ' ' TYR . 10.0 ptt180 -99.43 33.71 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.99 128.23 3.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.37 -32.2 66.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.26 -48.01 38.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.848 ' HG2' HD13 ' A' ' 348' ' ' LEU . 12.2 mtm180 -57.37 -44.07 84.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.704 179.867 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.643 ' CE1' HD13 ' A' ' 330' ' ' LEU . 10.9 t80 -60.24 -46.58 89.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.434 179.682 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -54.14 -35.49 62.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.695 179.701 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.483 ' O ' HD12 ' B' ' 344' ' ' LEU . 0.6 OUTLIER -66.29 -58.89 4.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.269 179.506 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.494 ' CE2' HD13 ' B' ' 332' ' ' ILE . 3.3 m-85 -60.88 -28.06 68.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.723 179.597 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -68.44 -33.75 74.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.269 179.432 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.47 -33.04 36.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.324 179.49 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.806 ' O ' HD23 ' B' ' 348' ' ' LEU . 3.6 mp -77.83 -30.58 51.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.523 179.605 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -76.69 -36.24 57.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.772 179.796 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -76.32 -30.37 57.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.85 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.12 -30.1 49.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.991 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.806 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.7 mm? -77.53 -34.76 53.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 179.929 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -74.65 -29.68 61.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 5.8 mt -73.64 -32.03 63.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -69.89 -31.58 69.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -70.33 -30.99 68.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.39 -40.19 85.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -75.22 -30.88 60.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -134.72 78.19 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.422 -1.21 . . . . 0.0 112.502 -179.973 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.83 0.348 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 61.99 116.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.437 ' N ' ' CD1' ' C' ' 328' ' ' PHE . 3.5 m-85 -127.16 101.5 6.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.457 HG23 ' HG3' ' D' ' 331' ' ' GLN . 0.2 OUTLIER -74.68 143.75 44.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.425 HD23 HD11 ' C' ' 332' ' ' ILE . 13.4 tp -151.76 110.26 3.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.513 ' HG3' HG23 ' D' ' 329' ' ' THR . 42.3 mt-30 -95.75 128.14 42.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.425 HD11 HD23 ' C' ' 330' ' ' LEU . 4.3 mt -127.07 151.8 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.75 35.57 2.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.01 124.84 4.09 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.444 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -75.85 -35.18 60.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.791 0.329 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -77.1 -42.23 38.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.611 ' HD2' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -59.67 -52.64 64.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.572 179.851 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -59.91 -42.29 93.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.117 179.512 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -55.91 -35.02 66.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.471 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.8 ttm -66.47 -61.02 2.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.074 179.35 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.486 ' CD1' ' CD2' ' D' ' 341' ' ' PHE . 6.6 m-85 -58.79 -26.35 63.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.825 179.498 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -37.09 81.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.891 0.377 . . . . 0.0 110.149 179.375 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.54 -32.48 53.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.403 179.422 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.819 ' O ' HD23 ' C' ' 348' ' ' LEU . 82.1 mt -75.59 -30.78 59.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.602 179.641 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -73.57 -40.06 64.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.662 179.764 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.435 ' O ' HD23 ' C' ' 350' ' ' LEU . 17.1 mt-10 -69.51 -36.3 76.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.758 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.71 -35.78 72.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.012 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.819 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.7 mm? -68.52 -34.7 76.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.756 179.884 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.87 -31.89 73.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.435 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.9 mm? -72.46 -36.72 68.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -67.44 -31.55 71.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -66.0 -32.05 73.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.22 -31.91 70.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -86.37 -38.18 17.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -133.58 109.23 9.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.428 -1.206 . . . . 0.0 112.534 -179.986 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.844 0.355 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -100.14 152.89 19.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -144.25 109.53 5.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.513 HG23 ' HG3' ' C' ' 331' ' ' GLN . 1.8 m -75.94 138.6 41.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 1.0 HD23 HD11 ' D' ' 332' ' ' ILE . 23.8 tp -132.57 117.21 17.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.457 ' HG3' HG23 ' C' ' 329' ' ' THR . 19.2 mp0 -99.42 84.02 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 1.0 HD11 HD23 ' D' ' 330' ' ' LEU . 3.9 mp -81.43 122.27 36.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 36.4 ptt85 -97.78 37.64 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.79 133.65 6.64 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -64.24 -66.15 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.775 0.322 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -59.68 -38.46 81.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.501 ' HG2' HG21 ' D' ' 332' ' ' ILE . 14.9 ttp-105 -59.26 -51.68 68.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.565 179.769 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -62.69 -47.64 82.76 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.23 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -55.77 -30.92 62.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.393 179.383 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 4.3 ttm -66.81 -59.67 3.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.306 179.45 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.486 ' CD2' ' CD1' ' C' ' 341' ' ' PHE . 2.5 m-85 -60.62 -30.02 69.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.709 179.585 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -39.68 80.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.342 179.499 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.35 -30.44 48.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.274 179.414 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.746 HD11 HD21 ' A' ' 344' ' ' LEU . 0.5 OUTLIER -77.74 -31.35 52.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.509 179.65 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -77.73 -40.25 41.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.574 179.728 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -76.35 -30.36 57.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.614 179.667 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.37 -31.23 42.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.763 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.661 HD12 ' O ' ' D' ' 344' ' ' LEU . 7.7 mt -76.8 -31.12 56.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.601 179.791 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -71.47 -30.35 65.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.816 179.771 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.61 -37.1 84.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 179.886 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.506 ' HE3' ' HB2' ' A' ' 347' ' ' ALA . 27.1 mttt -60.29 -35.29 75.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -68.1 -31.67 71.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.53 -41.59 65.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.68 ' OE1' HD23 ' A' ' 350' ' ' LEU . 1.4 mt-30 -71.9 -32.23 67.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -76.25 -39.01 55.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.501 -179.991 . . . . . . . . 0 0 . 1 stop_ save_